A
-
Absorption isotherms
Experimental Study of Nitrate Absorption Isotherms Determination on Latium Composite Overactive Carbon [Volume 2, Issue 4, 2015, Pages 65-72]
-
Acetaminophen
Highly Sensitive Voltammetric Determination of Acetaminophen by an Overoxidized Poly (p-aminophenol) Modified Glassy Carbon Electrode [Volume 10, Issue 3, 2023, Pages 140-150]
-
Acid dye
Synthesis of polyphenolic mesoporous nanocomposite for removal of acid dye from aqueous media: Adsorption studies [Volume 8, Issue 4, 2021, Pages 515-536]
-
Activation Energy
Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study [Volume 6, Issue 3, 2019, Pages 178-189]
-
Activation Energy
Optimization of Corrosion Information in Oil and Gas Wells Using Electrochemical Experiments [Volume 8, Issue 2, 2021, Pages 149-163]
-
Activation Energy
Analysis of Corrosion Inhibiton Potential of Acacia nilotica Fruits on Aluminium Corrosion in Acidic and Alkaline Media [Volume 9, Issue 3, 2022, Pages 201-213]
-
Active carbon
Experimental Study of Nitrate Absorption Isotherms Determination on Latium Composite Overactive Carbon [Volume 2, Issue 4, 2015, Pages 65-72]
-
Adhesive
Optimization the Adhesive Production from Sugar Cane Bagasse [Volume 7, Issue 4, 2020, Pages 296-302]
-
ADMET
Computational Study and Design of Novel Chemotherapeutic Agents against Hepatocellular Carcinoma [Volume 10, Issue 2, 2023, Pages 84-105]
-
Adsorption
Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Pages 215-223]
-
Adsorption
Quetiapine Adsorption on the Surface of Boron Nitride Nanocage (B12N12): A Computational Study [Volume 7, Issue 2, 2020, Pages 87-100]
-
Adsorption
Evaluating Commercial Macroporous Resin (D201) for Uranium Uptake in Static and Dynamic Fixed Bed Ion Exchange Column [Volume 7, Issue 2, 2020, Pages 150-168]
-
Adsorption
Kinetic Study of the Adsorption of Zinc and Copper Ions on to Activated Carbon Prepared from Date Pits [Volume 9, Issue 1, 2022, Pages 21-35]
-
Adsorption
Investigating the performance of a recently synthesized covalent organic framework as an adsorbent for methylene blue: A DFT Study [Volume 9, Issue 4, 2022, Pages 383-392]
-
Adsorption
Carbon Nanocone as a Potential Adsorbent and Sensor for the Removal and Detection of Ciprofloxacin: DFT Studies [Volume 10, Issue 4, 2023, Pages 288-298]
-
Adsorption
A DFT Investigation on Fullerene (C20) Interaction with Nalidixic Acid [Volume 9, Issue 4, 2022, Pages 393-404]
-
Adsorption
Removal of Fe(II) from Aqueous Solution Using Characterized Cellulose of Pentaclethra macrophylla Benth Pod: Adsorption, Thermodynamic, and Kinetic Studies [(Articles in Press)]
-
Adsorption isotherm
Removal of Toxic Cr(VI) Ions from Water Sample a Novel Magnetic Graphene Oxide Nanocomposite [Volume 7, Issue 1, 2020, Pages 30-46]
-
Adsorption isotherm
Synthesis of polyphenolic mesoporous nanocomposite for removal of acid dye from aqueous media: Adsorption studies [Volume 8, Issue 4, 2021, Pages 515-536]
-
Afrin
Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 2, Issue 4, 2015, Pages 83-88]
-
Aging
Characterization of polymeric materials and their degradation products [Volume 8, Issue 1, 2021, Pages 1-15]
-
AIM
Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Pages 27-34]
-
AIM
The AIM, NBO Thermodynamic, and Quantum Study of the Interaction Nitramide Molecule with Pristine, B, As and B&As Doped of AlNNTs [Volume 6, Issue 2, 2019, Pages 109-132]
-
Aktogen
Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy [Volume 3, Issue 4, 2016, Pages 105-111]
-
Alanine
QSAR Relationships The Changes in the Ratio of Electrons to the Natural Charge of Atoms in the Complexes of Glycine and Alanine Amino Acids with Intermediates [Volume 4, Issue 2, 2017, Pages 28-38]
-
AlB7C24
A DFT Study of the Nuclear Magnetic Properties of Fullerenes [Volume 2, Issue 2, 2015, Pages 41-49]
-
Aldimines
Nematicidal Activity Studies of Cu2+and Zn2+Complexes with Some Aldimine Ligands Against MeloidogyneArenaria: A Root Knot Nematode of Arachis Hypogea [Volume 8, Issue 3, 2021, Pages 365-385]
-
Al-inserted
Study of B12N12 and AlB11N12 Fullerene as H2S Absorbent and Sensor by Computational Method [Volume 2, Issue 1, 2015, Pages 1-7]
-
Alkaline roasting
A Simple Method for the Recovery of Selenium from Copper Anode Slime Sample Using Alkaline Roasting Process [Volume 6, Issue 2, 2019, Pages 143-150]
-
Alkanolamine
Investigation on the photocatalytic activity of TiO2@WO3/ZnO catalyst in the waste water treatment containing alkanolamine contaminants [Volume 9, Issue 4, 2022, Pages 262-284]
-
AlNNTs
The AIM, NBO Thermodynamic, and Quantum Study of the Interaction Nitramide Molecule with Pristine, B, As and B&As Doped of AlNNTs [Volume 6, Issue 2, 2019, Pages 109-132]
-
Alprazolam
Spectrophotometric Study of Complex Formations between Alprazolam and Some Transition Metal Ions in Non Aqueous Solution [Volume 7, Issue 2, 2020, Pages 137-149]
-
Amines
Superparamagnetic core-shell metal-organic framework (Fe3O4@Ni-Co-BTC NPs): an efficient and magnetically retrievable nanostructured catalyst for the reduction of nitro compounds to amines [Volume 9, Issue 1, 2022, Pages 53-76]
-
Amitriptyline Hydrochloride
Determination of Amitriptyline Using Bromate-Bromide and Two Dyes [Volume 1, Issue 1, 2014, Pages 41-50]
-
Anacyclus pyrethrum/pellitory
Cytotoxic effects of Anacyclus pyrethrum, Terminalia chebula, and Brassica nigra ethanol extracts on KB cancer cell line [Volume 10, Issue 1, 2023, Pages 35-42]
-
Anaerobic digester
Experimental Investigation and Modeling of Parameters Affecting Biogas Production Process from Food Waste by Anaerobic Digestion Method [Volume 7, Issue 4, 2020, Pages 256-270]
-
Ananas 26
New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19 [Volume 9, Issue 3, 2022, Pages 225-237]
-
Aniline
Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 1, 2014, Pages 1-9]
-
Anodes in Be−ion Batteries
A density functional theory study on nanostructures including sumanene, corannulene and nanosheet as the anodes in Be−ion Batteries [Volume 8, Issue 4, 2021, Pages 425-441]
-
ANPY
The Synthesis of 2, 6 diamino- 3, 5-dinitropyridine from Direct Nitration Reaction of 2, 6 diamino pyridine in Different Temperature Conditions by Density Functional Theory [Volume 5, Issue 2, 2018, Pages 40-47]
-
Antibacterial
Pyridazinone Compounds: A Mini review on their antifungal activities [Volume 7, Issue 4, 2020, Pages 303-317]
-
Antibacterial
Investigation of Morphology and Antibacterial Properties of Nylon 6, 6/PANI/ZnO Nanocomposite [Volume 9, Issue 2, 2022, Pages 144-152]
-
Antibacterial activities
Synthesis, characterization and antibacterial activities of new substituted (1,3)oxazepine 1,5-diones [Volume 10, Issue 2, 2023, Pages 116-123]
-
Antibacterial activity
Studying the Biosynthesis, Characterization, and Antibacterial Activity of Copper Oxide Nanoparticles [Volume 10, Issue 3, 2023, Pages 184-196]
-
Anticancer
Molecular docking studies on some derivatives of zanthone as potential anticancer agents [(Articles in Press)]
-
Anticancer activity
Cytotoxic and Anticancer Studies of an Oxygen and Nitrogen Donor Novel Schiff Base Ligand and its Copper (II) Complex [Volume 6, Issue 1, 2019, Pages 1-13]
-
Anti-Cancer Agents
Quantum Chemical Study of Interaction of PLGA Polymeric Nanoparticles as Drug Delivery with Anti-Cancer Agents of Thiazoline [Volume 6, Issue 1, 2019, Pages 34-42]
-
Anti-COVID-19 Drug
New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19 [Volume 9, Issue 3, 2022, Pages 225-237]
-
Antifungal
Pyridazinone Compounds: A Mini review on their antifungal activities [Volume 7, Issue 4, 2020, Pages 303-317]
-
Anti-HIV-1
Quantum and Statistical Study for Evaluating the Cytotoxicity Ability of Some Pyrazole Derivatives as Potent Anti Hiv-1 Agents Inhibitors [Volume 8, Issue 2, 2021, Pages 131-141]
-
Antimicrobial activity
Blepharis maderaspatensis (L.) Hyene Ex Roth: A Review [Volume 7, Issue 2, 2020, Pages 125-136]
-
Antioxidant
Blepharis maderaspatensis (L.) Hyene Ex Roth: A Review [Volume 7, Issue 2, 2020, Pages 125-136]
-
Apoptosis
Cytotoxic effects of Anacyclus pyrethrum, Terminalia chebula, and Brassica nigra ethanol extracts on KB cancer cell line [Volume 10, Issue 1, 2023, Pages 35-42]
-
Arachis Hypogea
Nematicidal Activity Studies of Cu2+and Zn2+Complexes with Some Aldimine Ligands Against MeloidogyneArenaria: A Root Knot Nematode of Arachis Hypogea [Volume 8, Issue 3, 2021, Pages 365-385]
-
Aromatism
Initial Studies of the Effects of Halogenated Dispersions on the Amount of NICS Compound Ring 1- (4-fluorophenyl) -2,3-dihydro-1 H-naphtho [1 and 2-e] [1 and 3] oxazin-3-one [Volume 4, Issue 1, 2017, Pages 12-16]
-
Artificial gas lift
Economic Equation and Optimization of Artificial Gas Lift with Coil Tubing Based on Dynamic Simulation in One of Iranian Offshore Fields [Volume 8, Issue 1, 2021, Pages 111-130]
-
ASTM
Optimisation of Bio-Diesel made from Non-Edible Avocado Seed Oil (ASO) Using Homogenous H2SO4/KOH Catalyst [Volume 10, Issue 4, 2023, Pages 242-257]
-
Atenolol
Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Pages 55-60]
-
ATRP
Synthesis and characterization of poly methyl methacrylate-b-polystyrene copolymer/ multi -walled carbon nanotubes via ATRP and NMRP techniques [Volume 10, Issue 2, 2023, Pages 65-83]
-
ATTz
Investigation of High-energy Heterocyclic Synthesis as a Green Fuel from the Reaction of 3,6-D-aminotrazine with Nitric acid and Sodium azid; Under Different Temperature Conditions, by DFT Method [Volume 4, Issue 4, 2017, Pages 111-117]
-
Au(100) electrodes
First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire [Volume 1, Issue 1, 2014, Pages 10-21]
-
Autism
Design of Novel Drugs (P3TZ, H2P3TZ, M2P3TZ, H4P3TZ and M4P3TZ) Based on Zonisamide for Autism Treatment by Binding to Potassium Voltage-gated Channel Subfamily D Member 2 (Kv4.2) [Volume 6, Issue 4, 2019, Pages 254-276]
-
Azolla
Isolation, Purification and Identification of β-carotene from Azolla Pinnata R. Br. as a New Carotenoid Wealthy Source [Volume 8, Issue 3, 2021, Pages 265-276]
B
-
B12N12
Study of B12N12 and AlB11N12 Fullerene as H2S Absorbent and Sensor by Computational Method [Volume 2, Issue 1, 2015, Pages 1-7]
-
B16N16
A DFT Study of the Nuclear Magnetic Properties of Fullerenes [Volume 2, Issue 2, 2015, Pages 41-49]
-
B3LYP
Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study [Volume 6, Issue 3, 2019, Pages 178-189]
-
B7C24P
A DFT Study of the Nuclear Magnetic Properties of Fullerenes [Volume 2, Issue 2, 2015, Pages 41-49]
-
B8C24
A DFT Study of the Nuclear Magnetic Properties of Fullerenes [Volume 2, Issue 2, 2015, Pages 41-49]
-
Bacillus subtilis
Studying the Biosynthesis, Characterization, and Antibacterial Activity of Copper Oxide Nanoparticles [Volume 10, Issue 3, 2023, Pages 184-196]
-
Ball- milling
Structural, Magnetic and Electromagnetic Absorption Properties of SrFe11.98Mg0.1Sn0.1O19/BaTiO3 Nanocomposites Prepared By Sol- Gel Auto Combustion Method [Volume 8, Issue 4, 2021, Pages 474-484]
-
B&As doped
The AIM, NBO Thermodynamic, and Quantum Study of the Interaction Nitramide Molecule with Pristine, B, As and B&As Doped of AlNNTs [Volume 6, Issue 2, 2019, Pages 109-132]
-
Benzoxazines
Pharmacological Profile of Oxazine and its Derivatives: A Mini Review [Volume 7, Issue 1, 2020, Pages 60-73]
-
Benzylamine
Microwave Assisted Synthesis of N-Benzylenaminones Catalyzed by Chloroacetic Acid [Volume 1, Issue 4, 2014, Pages 145-150]
-
Benzylamine
The Synthesis of Imine from the Reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in Different Temperature Conditions by DFT method [Volume 5, Issue 2, 2018, Pages 56-64]
-
Biginelli reaction
Green and efficient Synthesis of Some Thiazolopyrimidine Derivatives under Catalyst-Free Conditions [Volume 9, Issue 3, 2022, Pages 214-224]
-
Binder
OPTIMIZATION OF TRADITIONAL POLYVINYL ACETATE WITH HYDROXYLATED GUNA SEED OIL AS A FEASIBLE COPOLYMER BINDER [(Articles in Press)]
-
Binding affinity
Molecular Docking of Pyrazole Inhibitors Against Integrase Receptor: A Computational Quantum Approach [Volume 9, Issue 3, 2022, Pages 191-200]
-
Binding energy
Investigation of Nickle Nanoclusters Properties by Density Functional Theory [Volume 5, Issue 4, 2018, Pages 188-196]
-
Biochemical
Thermodynamic-Biochemical Study of Complexes of Intermediate Elements with α-Amino Acids in Some Proteins with Active Site [Volume 4, Issue 2, 2017, Pages 39-43]
-
Biodiesel
Kanemite: an easily prepared and highly efficient catalyst for biodiesel production optimized by response surface methodology [Volume 7, Issue 3, 2020, Pages 232-246]
-
Biofertilizer
Biofertilizer Production from Gas Refinery Wastewater [Volume 5, Issue 3, 2018, Pages 83-90]
-
Biofuel
Optimisation of Bio-Diesel made from Non-Edible Avocado Seed Oil (ASO) Using Homogenous H2SO4/KOH Catalyst [Volume 10, Issue 4, 2023, Pages 242-257]
-
Biogas
Experimental Investigation and Modeling of Parameters Affecting Biogas Production Process from Food Waste by Anaerobic Digestion Method [Volume 7, Issue 4, 2020, Pages 256-270]
-
Biological activities
Pharmacological Profile of Oxazine and its Derivatives: A Mini Review [Volume 7, Issue 1, 2020, Pages 60-73]
-
Biological activity
Chemical and Biological Study of Some Transition Metal Complexes with Guanine as Ligand [Volume 10, Issue 3, 2023, Pages 172-183]
-
Biological functions
Metal ions and their Biological Functions in Human Body. [Volume 10, Issue 3, 2023, Pages 151-161]
-
Biosynthesis
Synthesis and characterization of Copper Nanoparticles Utilizing Pomegranate Peel Extract and Its Antibacterial Activity [Volume 10, Issue 1, 2023, Pages 43-52]
-
Biosynthesis
Studying the Biosynthesis, Characterization, and Antibacterial Activity of Copper Oxide Nanoparticles [Volume 10, Issue 3, 2023, Pages 184-196]
-
Bipolar Moment
Computational Survey on the Effect of Changes in Halogenated Compounds on the Structural Properties in Chlorpromazine [Volume 2, Issue 4, 2015, Pages 73-78]
-
Bismuth nitrate
Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Pages 61-64]
-
Bispyridine -2 and 6-dicarboxylate copper II
Comparison of Stability Cu(C7H3NO4)2 and Valance / Charge Ratio of Oxygen and Carbon atoms in the Complex by Changing the Vinyl, Acetylene, isopropil [Volume 4, Issue 2, 2017, Pages 50-55]
-
Blowing agent
Study on the Preparation and Modification of Hydrazodicarbonamide [Volume 9, Issue 1, 2022, Pages 14-20]
-
Blowing agent
The discussion on synthesis process of Azodicarbonamide [Volume 8, Issue 2, 2021, Pages 164-172]
-
Bond critical points
Study of the Formation, Energetics, Specific Interaction, Charge Transfer and Nature of Hydrogen Bonds in Dimerization of the 2PY (C5H4X N (O) Derivatives (X= F, Cl, and Br): DFT, AIM and NBO analyses [Volume 8, Issue 3, 2021, Pages 277-297]
-
Bond length
The Study of the Effect of Changing the Substituted on Eectron and Orbital Properties of the Drug 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol on Nano Structure Fullerene Using Hartree- fock Method [Volume 3, Issue 3, 2016, Pages 62-68]
-
Bond strength
Optimization the Adhesive Production from Sugar Cane Bagasse [Volume 7, Issue 4, 2020, Pages 296-302]
-
Boron nitride
Investigating the Role of Chirality on the Physical Properties of Boron Nitride and Carbon Nanotubes with Small Diameter [Volume 10, Issue 4, 2023, Pages 213-222]
-
Boron nitride cage
The Energetic, Check of Derived Boron Nitride Nano- cage with (HMX) in Different Conditions of Temperature by Density Functional Theory Method [Volume 5, Issue 1, 2018, Pages 26-32]
-
Boron nitride cage
Evaluating the Thermodynamic Parameters the Derivative [b-5,1] tetrazolo [4,2,1] teriazine (TTA) with Boron nitride nano-cage in Different Temperature Conditions by DFT Method [Volume 5, Issue 3, 2018, Pages 91-102]
-
Boron nitride cage
The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB [Volume 7, Issue 3, 2020, Pages 184-194]
-
Boron nitride cage and Density functional theory
The Effect of B12N12 Substitution on the Properties of TEX Energetic Materials in Different Temperature Conditions: A DFT Study [Volume 5, Issue 1, 2018, Pages 18-25]
-
Boron Nitride Fullerene
Study of B12N12 and AlB11N12 Fullerene as H2S Absorbent and Sensor by Computational Method [Volume 2, Issue 1, 2015, Pages 1-7]
-
Boron nitride nanocage (B12N12)
Quetiapine Adsorption on the Surface of Boron Nitride Nanocage (B12N12): A Computational Study [Volume 7, Issue 2, 2020, Pages 87-100]
-
Box–Behnken design
Development of an Ultrasound Assisted Ion Pair Based Surfactant-enhanced Liquid–liquid Microextraction Technique Combined with Spectrophotometry for Preconcentration and Determination of Ultra-Trace Amounts of Sunset Yellow in Food Samples [Volume 9, Issue 4, 2022, Pages 336-350]
-
BP Nano cone
Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water [Volume 4, Issue 3, 2017, Pages 72-77]
-
Brassica nigra
Cytotoxic effects of Anacyclus pyrethrum, Terminalia chebula, and Brassica nigra ethanol extracts on KB cancer cell line [Volume 10, Issue 1, 2023, Pages 35-42]
-
Breakthrough
Evaluating Commercial Macroporous Resin (D201) for Uranium Uptake in Static and Dynamic Fixed Bed Ion Exchange Column [Volume 7, Issue 2, 2020, Pages 150-168]
-
Brilliant green
Using an Agriculture Waster for Eliminating BG from Waste Water [(Articles in Press)]
-
Bromoacetyl bromide
Synthesis and antibacterial activities of novel 1-bromo-2-(6-bromo-1,2,3,4-tetrahydro-9H-carbazol-1-yl) ethanone and 1-bromo-2-(5-bromo-1,2,3-trihydrocyclopenta[b]indole-1-yl) ethanone. [Volume 8, Issue 2, 2021, Pages 142-148]
-
Butadiene
Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method [Volume 4, Issue 3, 2017, Pages 86-92]
-
Butyl Ammonium Fluoride
Investigation the Kinetics of CO2 Hydrate Formation in the Water System + CTAB + TBAF + ZnO [Volume 7, Issue 3, 2020, Pages 195-219]
C
-
C20
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60) [Volume 5, Issue 1, 2018, Pages 11-17]
-
C20
Characterization and DFT studies of Cis, Trans and Vinyl Derivatives of 1,4-butadiene Using C20 in Different Temperatures [Volume 5, Issue 2, 2018, Pages 76-82]
-
C24
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60) [Volume 5, Issue 1, 2018, Pages 11-17]
-
C60
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60) [Volume 5, Issue 1, 2018, Pages 11-17]
-
Calcination Temperature
Effects of Calcination Temperature on the Synthesis, Chemical Structure, and Magnetic Properties of Nano Crystallites Zinc Ferrite Prepared by Combination of Sol-Gel Auto-Combustion and Ultrasonic Irradiation Techniques [Volume 5, Issue 4, 2018, Pages 172-180]
-
Calcium Carbonate Nanoparticle
In Vitro Study of Solubility of Carbon Dioxide in Diethyl Ethanolamine in the Presence of Calcium Carbonate Nanoparticles [Volume 7, Issue 4, 2020, Pages 271-282]
-
Cannizaro reaction Magnesium ferrite
Use of Magnesium Ferrite as Catalyst in Cannizaro Reaction [Volume 10, Issue 3, 2023, Pages 162-171]
-
CaO nanoparticles
Facile and Eco-Friendly Method for Synthesis of Calcium Oxide Nanoparticles utilizing Pistacia atlanica leaf extracts and its characterization [Volume 10, Issue 1, 2023, Pages 27-34]
-
Carbazole deivative
Investigation of Dibromo and N-bromoacetyl Derivatives of [b] carbazole-synthesis and Antibacterial Evaluation [Volume 6, Issue 2, 2019, Pages 66-75]
-
Carbon
Exploration of the microstructures of two series of chromium–rich Mn–based alloys elaborated by casting [Volume 7, Issue 4, 2020, Pages 318-335]
-
Carbon dioxide
In Vitro Study of Solubility of Carbon Dioxide in Diethyl Ethanolamine in the Presence of Calcium Carbonate Nanoparticles [Volume 7, Issue 4, 2020, Pages 271-282]
-
Carbon nanocone
Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Pages 215-223]
-
Carbon nanocone
TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study [Volume 7, Issue 1, 2020, Pages 74-86]
-
Carbon nanocone
Carbon Nanocone as a Potential Adsorbent and Sensor for the Removal and Detection of Ciprofloxacin: DFT Studies [Volume 10, Issue 4, 2023, Pages 288-298]
-
Carbon Nanotube
Theoretical Studies of Interaction Melphalan Anticancer Drug with Functionalized Carbon Nanotube: Thermodynamics Studies [Volume 8, Issue 2, 2021, Pages 173-180]
-
Carbon Nanotube
Investigating the Role of Chirality on the Physical Properties of Boron Nitride and Carbon Nanotubes with Small Diameter [Volume 10, Issue 4, 2023, Pages 213-222]
-
Carbon nanotubes
Role of Nanotechnology and Nanomaterials for Water Treatment and Environmental Remediation [Volume 9, Issue 3, 2022, Pages 165-190]
-
Car Washing Stations
Assessment of the Total Petroleum Hydrocarbons and Heavy Metal Concentrations in Soils around Car Washing Stations in Misurata, Libya [Volume 8, Issue 4, 2021, Pages 453-473]
-
Catalysis
Advance Technology in Wastewater Treatment: A Brief Assessment [Volume 9, Issue 2, 2022, Pages 153-164]
-
Catapres
Computational Study of Structures and Electronic Properties of the Catapres on Nano Structure of Fullerene with Calculations method [Volume 3, Issue 3, 2016, Pages 57-61]
-
Catechol
Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Pages 61-64]
-
Catecholamine
Complexation of a Catecholamine with Zinc (II) in Media with Different Dielectric Constants [Volume 1, Issue 3, 2014, Pages 126-133]
-
Cellulose
Removal of Fe(II) from Aqueous Solution Using Characterized Cellulose of Pentaclethra macrophylla Benth Pod: Adsorption, Thermodynamic, and Kinetic Studies [(Articles in Press)]
-
Characterization
Effects of Calcination Temperature on the Synthesis, Chemical Structure, and Magnetic Properties of Nano Crystallites Zinc Ferrite Prepared by Combination of Sol-Gel Auto-Combustion and Ultrasonic Irradiation Techniques [Volume 5, Issue 4, 2018, Pages 172-180]
-
Characterization
Characterization of polymeric materials and their degradation products [Volume 8, Issue 1, 2021, Pages 1-15]
-
Characterization
Nematicidal Activity Studies of Cu2+and Zn2+Complexes with Some Aldimine Ligands Against MeloidogyneArenaria: A Root Knot Nematode of Arachis Hypogea [Volume 8, Issue 3, 2021, Pages 365-385]
-
Charcoal
Eco-Energy Innovation Of Charcoal Briquettes With Palm Oil Fronds And Stems As Raw Materials [Volume 10, Issue 4, 2023, Pages 236-241]
-
Chemical hardness and Chemical potential
Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives [Volume 5, Issue 1, 2018, Pages 33-39]
-
Chemical Industry
A Review of Frontal Polymerization in the Chemical Industry [Volume 9, Issue 4, 2022, Pages 285-308]
-
Chemical potential
Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Pages 151-159]
-
Chemical potential
Computational Study of Chemical Properties in Fullerene Derivatives of Enalapril Drug [Volume 2, Issue 1, 2015, Pages 17-26]
-
Chemical potential
Quantum Mechanic Studies of Natural Bond Orbital & Stabilities of [CuCH2SiMe3]4Complexes With Different Halogens [Volume 3, Issue 1, 2016, Pages 1-6]
-
Chemical potential
A Theoretical Study About Substituted Effect in Current Ring and Aromaticity with NICS Index in Nano Carrier Xylometazoline Drug [Volume 3, Issue 1, 2016, Pages 18-23]
-
Chemical potential
Quantum Chemistry Studies on Reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Acid Drug Linked to to C60 [Volume 3, Issue 2, 2016, Pages 52-56]
-
Chemical potential
Computational Study of Chemical Properties in Fullerene Derivatives of (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol or Lopressor [Volume 3, Issue 3, 2016, Pages 74-78]
-
Chemical potential
Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations [Volume 3, Issue 4, 2016, Pages 112-116]
-
Chemical potential
Computational Computation of the Efferene Structure on the Para phenylene diamine [Volume 4, Issue 2, 2017, Pages 56-60]
-
Chemical potential
Computational Survey on the Effect of Changes in Halogenated Compounds on the Structural Properties in Chlorpromazine [Volume 2, Issue 4, 2015, Pages 73-78]
-
Chemical potential
Investigation of Fullerene Effect on Reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR Parameters [Volume 2, Issue 4, 2015, Pages 79-82]
-
Chemical potential
Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 2, Issue 4, 2015, Pages 83-88]
-
Chloroacetic acid
Microwave Assisted Synthesis of N-Benzylenaminones Catalyzed by Chloroacetic Acid [Volume 1, Issue 4, 2014, Pages 145-150]
-
Chloroacetic acid
Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study [Volume 6, Issue 3, 2019, Pages 178-189]
-
Chlorpromazine
Computational Survey on the Effect of Changes in Halogenated Compounds on the Structural Properties in Chlorpromazine [Volume 2, Issue 4, 2015, Pages 73-78]
-
Chromium
Evaluating the Performance of 2,3-dihydro-1H-phenothiazine-4(5aH)-one as an Ionophore in Construction of a Cation Selective Electrode by Density Functional Theory [Volume 5, Issue 1, 2018, Pages 1-10]
-
Chromium
Comparison of Hartree Factor and Density Function Theory in Calculating Coating Constants and NMR Parameters of Chromate and Molecular Complexes with Alanine and Glycine [Volume 4, Issue 1, 2017, Pages 17-27]
-
Chromium
Exploration of the microstructures of two series of chromium–rich Mn–based alloys elaborated by casting [Volume 7, Issue 4, 2020, Pages 318-335]
-
Cinnamon
Drug Properties, Chemical Reactivity and Docking Binding Energy of Cinnamon with Estrogen, Testosterone, Progesterone as Potential Drug: Theoretical Investigation [Volume 10, Issue 1, 2023, Pages 17-26]
-
Ciprofloxacin
Synthesis and antibacterial activities of novel 1-bromo-2-(6-bromo-1,2,3,4-tetrahydro-9H-carbazol-1-yl) ethanone and 1-bromo-2-(5-bromo-1,2,3-trihydrocyclopenta[b]indole-1-yl) ethanone. [Volume 8, Issue 2, 2021, Pages 142-148]
-
Ciprofloxacin
Carbon Nanocone as a Potential Adsorbent and Sensor for the Removal and Detection of Ciprofloxacin: DFT Studies [Volume 10, Issue 4, 2023, Pages 288-298]
-
Cis
Characterization and DFT studies of Cis, Trans and Vinyl Derivatives of 1,4-butadiene Using C20 in Different Temperatures [Volume 5, Issue 2, 2018, Pages 76-82]
-
Clarification
The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Pages 151-155]
-
Climate
Study on the Effect of Rainfall Level on the Size of Silver Nanoparticles Synthesized by Plants of the Lamiaceae Family in Different Regions of Iran [Volume 5, Issue 3, 2018, Pages 103-112]
-
Clonidine. Fullerene
Investigating the Resonance Energy and Charge Transfer in the Clonidine and C60-Clonidine-Fullerene Carriers with Quantum Chemistry Calculations [Volume 3, Issue 2, 2016, Pages 31-35]
-
Cloud point extraction
Separation, Preconcentration and Determination of Hg (II) Ion in Water Samples by Cloud Point Extraction Technique Coupled with UV-Vis Spectrophotometry Using a New Complexing Agent [Volume 6, Issue 3, 2019, Pages 163-177]
-
CNT
Comparison of Thermodynamic Functions of Idarubicin Cancer Drug Interaction with Carbon Nanotube:QM/MM studies [Volume 8, Issue 1, 2021, Pages 30-40]
-
CO2 conversion
An Overview on the Carbon Utilization Technologies with an approach to the negative emission construction material [Volume 8, Issue 3, 2021, Pages 298-328]
-
CO2 mineralization
An Overview on the Carbon Utilization Technologies with an approach to the negative emission construction material [Volume 8, Issue 3, 2021, Pages 298-328]
-
CO2 to chemicals
An Overview on the Carbon Utilization Technologies with an approach to the negative emission construction material [Volume 8, Issue 3, 2021, Pages 298-328]
-
Codoped TiO2
Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Pages 8-16]
-
Coiled tubing
Economic Equation and Optimization of Artificial Gas Lift with Coil Tubing Based on Dynamic Simulation in One of Iranian Offshore Fields [Volume 8, Issue 1, 2021, Pages 111-130]
-
Column chromatography
Isolation, Purification and Identification of β-carotene from Azolla Pinnata R. Br. as a New Carotenoid Wealthy Source [Volume 8, Issue 3, 2021, Pages 265-276]
-
Complexation
Complexation of a Catecholamine with Zinc (II) in Media with Different Dielectric Constants [Volume 1, Issue 3, 2014, Pages 126-133]
-
Complexation
Investigating the Complexation of a Recently Synthesized Phenothiazine with Different Metals by Density Functional Theory [Volume 4, Issue 4, 2017, Pages 101-110]
-
Complexation
Evaluating the Performance of 2,3-dihydro-1H-phenothiazine-4(5aH)-one as an Ionophore in Construction of a Cation Selective Electrode by Density Functional Theory [Volume 5, Issue 1, 2018, Pages 1-10]
-
Complexation
Comparison of Stability Cu(C7H3NO4)2 and Valance / Charge Ratio of Oxygen and Carbon atoms in the Complex by Changing the Vinyl, Acetylene, isopropil [Volume 4, Issue 2, 2017, Pages 50-55]
-
Complexation reaction
Spectrophotometric Study of Complex Formations between Alprazolam and Some Transition Metal Ions in Non Aqueous Solution [Volume 7, Issue 2, 2020, Pages 137-149]
-
Computational
Design and TDDFT study of the novel structures similar to BODIPY with prominent fluorescence properties [Volume 9, Issue 1, 2022, Pages 36-52]
-
Conductive polymer
A Simple Electrochemical Sensor for Rapid Determination of Oxycodone [Volume 10, Issue 4, 2023, Pages 258-267]
-
Conductometry
Complex Formation of Bis(salicylidene)ethylenediamine (Salen type ligand) with Cupper(II) Ions in Different Solvents: Spectrophotometric and Conductometric Study [Volume 7, Issue 1, 2020, Pages 1-13]
-
Conjugated System
Design and TDDFT study of the novel structures similar to BODIPY with prominent fluorescence properties [Volume 9, Issue 1, 2022, Pages 36-52]
-
Contaminant
ASSESSMENT OF AIR POLLUTANTS FROM GENERATOR FUMES IN EBONYI STATE UNIVERSITY BUSINESS CENTERS [(Articles in Press)]
-
Contamination
Chemical Investigation of Drilling Flowers, Types of Contaminations and Ways to Treat Them [Volume 6, Issue 1, 2019, Pages 14-22]
-
Copolymer
OPTIMIZATION OF TRADITIONAL POLYVINYL ACETATE WITH HYDROXYLATED GUNA SEED OIL AS A FEASIBLE COPOLYMER BINDER [(Articles in Press)]
-
Copolymerisation
FORMULATION OF EMULSION PAINT USING BENIGN HGSO/PVAc COPOLYMER AS A BINDER [Volume 10, Issue 2, 2023, Pages 124-133]
-
Copper anode slimes
A Simple Method for the Recovery of Selenium from Copper Anode Slime Sample Using Alkaline Roasting Process [Volume 6, Issue 2, 2019, Pages 143-150]
-
Corannulene
A density functional theory study on nanostructures including sumanene, corannulene and nanosheet as the anodes in Be−ion Batteries [Volume 8, Issue 4, 2021, Pages 425-441]
-
Core / charge
Quantum Chemistry Studies on Structures and Electronic Properties of the Tolazoline Drug on Nano Structure of Fullerene [Volume 3, Issue 2, 2016, Pages 47-51]
-
Core-shell
Highly efficient degradation of MTBE by γ-Al2O3/NiO/TiO2 core- shell nanocomposite under visible light irradiation [Volume 8, Issue 2, 2021, Pages 222-228]
-
Coronene
The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Pages 160-165]
-
Corrosion reactions
Optimization of Corrosion Information in Oil and Gas Wells Using Electrochemical Experiments [Volume 8, Issue 2, 2021, Pages 149-163]
-
Covalent organic framework (COF)
Investigating the performance of a recently synthesized covalent organic framework as an adsorbent for methylene blue: A DFT Study [Volume 9, Issue 4, 2022, Pages 383-392]
-
Crude oil
Monitoring of Sand Concentration in Some Oil Wells in the Niger Delta Area of Nigeria [Volume 8, Issue 4, 2021, Pages 413-424]
-
Cr(VI) ions
Removal of Toxic Cr(VI) Ions from Water Sample a Novel Magnetic Graphene Oxide Nanocomposite [Volume 7, Issue 1, 2020, Pages 30-46]
-
Crystal structure
Synthesis, Characterization, and Crystal Structure Determination of a New Copper(II) Complex: [H2en][Cu(pydc)2].2H2O [Volume 7, Issue 2, 2020, Pages 101-110]
-
CSi Nano cone
Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water [Volume 4, Issue 3, 2017, Pages 72-77]
-
Cu(II) complex
Synthesis, Characterization, and Crystal Structure Determination of a New Copper(II) Complex: [H2en][Cu(pydc)2].2H2O [Volume 7, Issue 2, 2020, Pages 101-110]
-
Cu NPs
Synthesis and characterization of Copper Nanoparticles Utilizing Pomegranate Peel Extract and Its Antibacterial Activity [Volume 10, Issue 1, 2023, Pages 43-52]
-
Cyclic voltammetry
The Investigation of Pyrocatechol Electrochemical Mechanism in Presence of Nitrite Ion on Platinum Electrode [Volume 2, Issue 2, 2015, Pages 35-40]
-
Cytotoxicity
Cytotoxic and Anticancer Studies of an Oxygen and Nitrogen Donor Novel Schiff Base Ligand and its Copper (II) Complex [Volume 6, Issue 1, 2019, Pages 1-13]
-
Cytotoxicity
Quantum and Statistical Study for Evaluating the Cytotoxicity Ability of Some Pyrazole Derivatives as Potent Anti Hiv-1 Agents Inhibitors [Volume 8, Issue 2, 2021, Pages 131-141]
D
-
D201resin
Evaluating Commercial Macroporous Resin (D201) for Uranium Uptake in Static and Dynamic Fixed Bed Ion Exchange Column [Volume 7, Issue 2, 2020, Pages 150-168]
-
Date pits
Kinetic Study of the Adsorption of Zinc and Copper Ions on to Activated Carbon Prepared from Date Pits [Volume 9, Issue 1, 2022, Pages 21-35]
-
Degradation
Characterization of polymeric materials and their degradation products [Volume 8, Issue 1, 2021, Pages 1-15]
-
Degradation
Investigation on the photocatalytic activity of TiO2@WO3/ZnO catalyst in the waste water treatment containing alkanolamine contaminants [Volume 9, Issue 4, 2022, Pages 262-284]
-
Dendrimer
Efficiency of Aptenia Cordifolia Mucilage in Removal of Anion Dyes from Aqueous Solution [Volume 7, Issue 2, 2020, Pages 111-124]
-
Density
Surface Adsorption of Carbon Monoxide and Hydrogen Gases Mixed with Boron Nitride (7 ,7) Nanotubes by Monte Carlo Method [Volume 4, Issue 4, 2017, Pages 118-124]
-
Density Functional Theory Calculations
Study of B12N12 and AlB11N12 Fullerene as H2S Absorbent and Sensor by Computational Method [Volume 2, Issue 1, 2015, Pages 1-7]
-
Density function theory
Computational Investigation of Carbonyl Positioning Mechanism in Mn (CO) 5CH2F Complex by Functional Density Theory [Volume 4, Issue 4, 2017, Pages 135-143]
-
DFT
Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 1, 2014, Pages 1-9]
-
DFT
First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire [Volume 1, Issue 1, 2014, Pages 10-21]
-
DFT
Adsorption of Ethanol by Using BN Nanotube: A DFT Study [Volume 1, Issue 1, 2014, Pages 22-29]
-
DFT
Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 2, 2014, Pages 68-76]
-
DFT
Adsorption of Pyridine by Using BeO Nanotube: A DFT Study [Volume 1, Issue 2, 2014, Pages 77-86]
-
DFT
Theoretical Insight of Substituent Effect in Para Substituted Fe(CO)4–pyridine Complexes [Volume 1, Issue 2, 2014, Pages 87-98]
-
DFT
Methyl Acetylene Detection by BN Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 99-107]
-
DFT
Hydroquinone Detection by BN Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 115-125]
-
DFT
Pyrrole Detection by BeO Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 134-144]
-
DFT
The Effect of Glutamine on Conductivity and Energetic Properties in Graphene: A DFT Studies [Volume 1, Issue 4, 2014, Pages 166-171]
-
DFT
Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water [Volume 4, Issue 3, 2017, Pages 72-77]
-
DFT
Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives [Volume 5, Issue 1, 2018, Pages 33-39]
-
DFT
Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods [Volume 5, Issue 2, 2018, Pages 65-75]
-
DFT
Investigation of Nickle Nanoclusters Properties by Density Functional Theory [Volume 5, Issue 4, 2018, Pages 188-196]
-
DFT
Comparison of Stability Cu(C7H3NO4)2 and Valance / Charge Ratio of Oxygen and Carbon atoms in the Complex by Changing the Vinyl, Acetylene, isopropil [Volume 4, Issue 2, 2017, Pages 50-55]
-
DFT
A Comparative Study of the Carbonyl Positioning Mechanism in the Mn (CO) 5 CH2F and Mn (CO) 5CHF2 Complex through Quantum Chemistry [Volume 4, Issue 4, 2017, Pages 125-134]
-
DFT
Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study [Volume 6, Issue 3, 2019, Pages 178-189]
-
DFT
TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study [Volume 7, Issue 1, 2020, Pages 74-86]
-
DFT
DFT Study, Physicochemical, Molecular Docking, and ADMET Predictions of some Modified Uridine Derivatives [Volume 8, Issue 1, 2021, Pages 88-110]
-
DFT
The role of insertion of Li atom in C60-Porphyrin-Metalloporphyrin, M = (V, Cr, Ni, Cu) as dyes in the DSSC by using the theoretical outlook [Volume 9, Issue 2, 2022, Pages 102-128]
-
DFT
Drug Properties, Chemical Reactivity and Docking Binding Energy of Cinnamon with Estrogen, Testosterone, Progesterone as Potential Drug: Theoretical Investigation [Volume 10, Issue 1, 2023, Pages 17-26]
-
DFT
QSAR modeling and molecular docking of matrine derivatives as potential anticancer agents [(Articles in Press)]
-
DFT Calculation
Investigation of the conversion process of verdoheme Hydroxyl Iron (II) to biliverdin Iron (II): Theoretical study [Volume 9, Issue 2, 2022, Pages 84-101]
-
DFT calculations
The Study of Substituent Effect on Osmabenzene Complexes [Volume 1, Issue 1, 2014, Pages 30-40]
-
DFT calculations
Theoretical study of some graphene-Like nanoparticles as the anodes in K−ion Batteries [Volume 10, Issue 3, 2023, Pages 197-212]
-
DFT methods
Comparison of Hartree Factor and Density Function Theory in Calculating Coating Constants and NMR Parameters of Chromate and Molecular Complexes with Alanine and Glycine [Volume 4, Issue 1, 2017, Pages 17-27]
-
DFT, QM/MM
Heme Catabolism by Heme Oxygenase and Model Reaction: What We Have Learned About Reaction Mechanism [(Articles in Press)]
-
Diethyl Ethanolamine
In Vitro Study of Solubility of Carbon Dioxide in Diethyl Ethanolamine in the Presence of Calcium Carbonate Nanoparticles [Volume 7, Issue 4, 2020, Pages 271-282]
-
Different Carbon Fullerenes
Study of the Chemical Properties of RDX High-Energy Element and its Derivatives with Different Nanostructures of Mass by Functional Density Theory [Volume 4, Issue 3, 2017, Pages 78-85]
-
Dihydropyrimidinthiones
Green and efficient Synthesis of Some Thiazolopyrimidine Derivatives under Catalyst-Free Conditions [Volume 9, Issue 3, 2022, Pages 214-224]
-
Dipole moment
Initial Study of the Effect of Substrates on Tetrahydrozoline and its Nano-Constituent Drugs [Volume 3, Issue 2, 2016, Pages 36-40]
-
Dipole moment
The Study of the Effect of Changing the Substituted on Eectron and Orbital Properties of the Drug 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol on Nano Structure Fullerene Using Hartree- fock Method [Volume 3, Issue 3, 2016, Pages 62-68]
-
Dislodge
Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Pages 27-34]
-
Dispersion effect
Graphene Heating Film Preparation and Performance Evaluation [Volume 9, Issue 3, 2022, Pages 238-249]
-
Disulfide oils
Modeling of the Hydrodesulfurization process of natural gas condensates [Volume 9, Issue 4, 2022, Pages 309-320]
-
Docking simulation
2D-QSAR, 3D-QSAR, molecular docking, and molecular dynamics simulations in the probe of novel type I diabetes treatment [Volume 9, Issue 4, 2022, Pages 351-382]
-
Doped
Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Pages 113-123]
-
Doped
Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Pages 190-197]
-
DOS and ADMET
DFT Study, Physicochemical, Molecular Docking, and ADMET Predictions of some Modified Uridine Derivatives [Volume 8, Issue 1, 2021, Pages 88-110]
-
Drilling mud
Chemical Investigation of Drilling Flowers, Types of Contaminations and Ways to Treat Them [Volume 6, Issue 1, 2019, Pages 14-22]
-
Drug design
Design of Novel Drugs (P3TZ, H2P3TZ, M2P3TZ, H4P3TZ and M4P3TZ) Based on Zonisamide for Autism Treatment by Binding to Potassium Voltage-gated Channel Subfamily D Member 2 (Kv4.2) [Volume 6, Issue 4, 2019, Pages 254-276]
-
Drug design
Designing novel molecule (V-NNC) based on Voxelotor (GBT-440) against sickle cell disease (SCD) via binding to carbonmonoxy hemoglobin S [Volume 8, Issue 4, 2021, Pages 498-514]
-
Drying time
Optimization the Adhesive Production from Sugar Cane Bagasse [Volume 7, Issue 4, 2020, Pages 296-302]
-
DSS
Investigating Recycling of Chemicals Used in Pre-Hospital Care Based on Decision Support System [Volume 10, Issue 1, 2023, Pages 1-16]
-
Dye-sensitized solar cell
The role of insertion of Li atom in C60-Porphyrin-Metalloporphyrin, M = (V, Cr, Ni, Cu) as dyes in the DSSC by using the theoretical outlook [Volume 9, Issue 2, 2022, Pages 102-128]
-
Dynamic simulation
Economic Equation and Optimization of Artificial Gas Lift with Coil Tubing Based on Dynamic Simulation in One of Iranian Offshore Fields [Volume 8, Issue 1, 2021, Pages 111-130]
E
-
Economic Analysis
The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Pages 151-155]
-
Economic Optimization
Economic Equation and Optimization of Artificial Gas Lift with Coil Tubing Based on Dynamic Simulation in One of Iranian Offshore Fields [Volume 8, Issue 1, 2021, Pages 111-130]
-
Effect of Solvents
Chemical and Biological Study of Some Transition Metal Complexes with Guanine as Ligand [Volume 10, Issue 3, 2023, Pages 172-183]
-
Electrocatalytic oxidation
Electrochemical determination of Uric acid by persian blue modified electrode with sol gel method [(Articles in Press)]
-
Electrochemical sensor
Highly Sensitive Voltammetric Determination of Acetaminophen by an Overoxidized Poly (p-aminophenol) Modified Glassy Carbon Electrode [Volume 10, Issue 3, 2023, Pages 140-150]
-
Electronic band structures
A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach [Volume 7, Issue 3, 2020, Pages 247-255]
-
Electronic excitation
Study the efficiency of three organic pigments based on tri-azine with applicability in solar cells in order to achieve clean and renewable solar energy [Volume 10, Issue 4, 2023, Pages 268-287]
-
Electronic properties
Investigation of Nickle Nanoclusters Properties by Density Functional Theory [Volume 5, Issue 4, 2018, Pages 188-196]
-
Electronic structure
Investigating the Role of Chirality on the Physical Properties of Boron Nitride and Carbon Nanotubes with Small Diameter [Volume 10, Issue 4, 2023, Pages 213-222]
-
Electrophilicity
The Effect of Glutamine on Conductivity and Energetic Properties in Graphene: A DFT Studies [Volume 1, Issue 4, 2014, Pages 166-171]
-
Electrophilicity
Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives [Volume 5, Issue 1, 2018, Pages 33-39]
-
Enalapril
Computational Study of Chemical Properties in Fullerene Derivatives of Enalapril Drug [Volume 2, Issue 1, 2015, Pages 17-26]
-
Enaminone
Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods [Volume 5, Issue 2, 2018, Pages 65-75]
-
Enthalpy
Analysis of Corrosion Inhibiton Potential of Acacia nilotica Fruits on Aluminium Corrosion in Acidic and Alkaline Media [Volume 9, Issue 3, 2022, Pages 201-213]
-
Environmental Benefits
A review of Kinetics of Hydrate Formation and the Mechanism of the Effect of the inhibitors on it [Volume 8, Issue 1, 2021, Pages 41-58]
-
Environmental Nanomaterials
Role of Nanotechnology and Nanomaterials for Water Treatment and Environmental Remediation [Volume 9, Issue 3, 2022, Pages 165-190]
-
ESR Spectral analysis
Cytotoxic and Anticancer Studies of an Oxygen and Nitrogen Donor Novel Schiff Base Ligand and its Copper (II) Complex [Volume 6, Issue 1, 2019, Pages 1-13]
-
Esterification
Optimisation of Bio-Diesel made from Non-Edible Avocado Seed Oil (ASO) Using Homogenous H2SO4/KOH Catalyst [Volume 10, Issue 4, 2023, Pages 242-257]
-
Ethyl acetylene
Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 2, 2014, Pages 51-59]
-
Ethylene diamine
Synthesis, Characterization, and Crystal Structure Determination of a New Copper(II) Complex: [H2en][Cu(pydc)2].2H2O [Volume 7, Issue 2, 2020, Pages 101-110]
-
Experimental design
Removal of toxic Tl(I) and Tl(III)ions from water sample a magnetite nanoparticle composite modified with aminodibenzo-18-crown-6 functionalized MIL-101(Cr) [Volume 10, Issue 1, 2023, Pages 53-64]
-
Explosive
Investigation of High-energy Heterocyclic Synthesis as a Green Fuel from the Reaction of 3,6-D-aminotrazine with Nitric acid and Sodium azid; Under Different Temperature Conditions, by DFT Method [Volume 4, Issue 4, 2017, Pages 111-117]
-
Explosives
The Energetic, Check of Derived Boron Nitride Nano- cage with (HMX) in Different Conditions of Temperature by Density Functional Theory Method [Volume 5, Issue 1, 2018, Pages 26-32]
-
Explosives
The Synthesis of 2, 6 diamino- 3, 5-dinitropyridine from Direct Nitration Reaction of 2, 6 diamino pyridine in Different Temperature Conditions by Density Functional Theory [Volume 5, Issue 2, 2018, Pages 40-47]
-
Explosives
Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Pages 215-223]
-
Explosives
TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study [Volume 7, Issue 1, 2020, Pages 74-86]
-
Extraction
Extraction and Determination of Active Composite in the Cultivated Daucus Carota (Carrot) Seed Oil [Volume 8, Issue 1, 2021, Pages 74-87]
F
-
Fe2O3
Preperation and Characterization of TiO2 Fe2O3 Nanocomposite by Sol Gel Method [Volume 5, Issue 4, 2018, Pages 181-187]
-
Fe3O4
Synthesis and characterization of biocompatible and magnetic ESW-Fe3O4-Cit nanocomposite by a green one-pot route [(Articles in Press)]
-
Fear from disease
The Assessment of Perceived Risk of Chemical-related Illness Among Inhabitant Community Adjacent to an Industrial Unit [Volume 6, Issue 4, 2019, Pages 224-235]
-
Fe(CO)4–pyridine
Theoretical Insight of Substituent Effect in Para Substituted Fe(CO)4–pyridine Complexes [Volume 1, Issue 2, 2014, Pages 87-98]
-
Fe–N bond
Theoretical Insight of Substituent Effect in Para Substituted Fe(CO)4–pyridine Complexes [Volume 1, Issue 2, 2014, Pages 87-98]
-
Flocculation and Coagulation
Efficiency of Aptenia Cordifolia Mucilage in Removal of Anion Dyes from Aqueous Solution [Volume 7, Issue 2, 2020, Pages 111-124]
-
Fluoxetine
Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Pages 151-159]
-
Food waste
Experimental Investigation and Modeling of Parameters Affecting Biogas Production Process from Food Waste by Anaerobic Digestion Method [Volume 7, Issue 4, 2020, Pages 256-270]
-
Formation enthalpy changes
Evaluating the Thermodynamic Parameters the Derivative [b-5,1] tetrazolo [4,2,1] teriazine (TTA) with Boron nitride nano-cage in Different Temperature Conditions by DFT Method [Volume 5, Issue 3, 2018, Pages 91-102]
-
Formazan dyes
Theoretical Study of Effect Ligands on Molecular & Orbital Properties of Cu Complexes of Industrial Dyes Formazan [Volume 3, Issue 1, 2016, Pages 7-11]
-
Foundry
Exploration of the microstructures of two series of chromium–rich Mn–based alloys elaborated by casting [Volume 7, Issue 4, 2020, Pages 318-335]
-
Fox-7
Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Pages 27-34]
-
Frontier orbitals
Synthesis and Theoretical Studies of [2-amino-3-(ethoxycarbonyl)-1,4-dihydro-1-phenyl-4-pyridinyl] Ferrocene Derivatives [Volume 7, Issue 4, 2020, Pages 283-295]
-
FTIR
Extraction and Determination of Active Composite in the Cultivated Daucus Carota (Carrot) Seed Oil [Volume 8, Issue 1, 2021, Pages 74-87]
-
FTIR
OPTIMIZATION OF TRADITIONAL POLYVINYL ACETATE WITH HYDROXYLATED GUNA SEED OIL AS A FEASIBLE COPOLYMER BINDER [(Articles in Press)]
-
FTIR
Green Synthesis of Copper Nanoparticles Utilizing Pomegranate leaves Extract and Its Antibacterial Activity [(Articles in Press)]
-
Fullerene
A DFT Study of the Nuclear Magnetic Properties of Fullerenes [Volume 2, Issue 2, 2015, Pages 41-49]
-
Fullerene
Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Pages 55-60]
-
Fullerene
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60) [Volume 5, Issue 1, 2018, Pages 11-17]
-
Fullerene
A Theoretical Study of Dipole Moments, Energy Levels and Structural Parameters in the Oxymetazoline Drug as a Nano Carrier Based on Fullerene with Changing Substitution [Volume 3, Issue 1, 2016, Pages 12-17]
-
Fullerene
Comparison of Structural Parameters in Antiparkinson's drug: Procyclidine & its Nano Carrier Based on Fullerene with Calculation Chemistry [Volume 3, Issue 1, 2016, Pages 24-30]
-
Fullerene
Initial Study of the Effect of Substrates on Tetrahydrozoline and its Nano-Constituent Drugs [Volume 3, Issue 2, 2016, Pages 36-40]
-
Fullerene
Ab Initio Studies: Effect of Various Substituted on Structural Parameters and Charge Transfer Energy of the Nafazolin drug and its Nano Carrier on Fullerene [Volume 3, Issue 2, 2016, Pages 41-46]
-
Fullerene
Quantum Chemistry Studies on Structures and Electronic Properties of the Tolazoline Drug on Nano Structure of Fullerene [Volume 3, Issue 2, 2016, Pages 47-51]
-
Fullerene
Computational Study of Structures and Electronic Properties of the Catapres on Nano Structure of Fullerene with Calculations method [Volume 3, Issue 3, 2016, Pages 57-61]
-
Fullerene
The Study of the Effect of Changing the Substituted on Eectron and Orbital Properties of the Drug 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol on Nano Structure Fullerene Using Hartree- fock Method [Volume 3, Issue 3, 2016, Pages 62-68]
-
Fullerene
Ab Initio Study on Nano Carrier (RS)-2-(1,2,3,4- tetrahydronaphthalen -1-yl)-4,5-dihydro-1H-imidazol Drug about Substituted Effect in Energy Levels, Dipole moment and Structural Parameters [Volume 3, Issue 3, 2016, Pages 79-86]
-
Fullerene
Computational Investigation of the Effect of Changes in Halogenated on Factors in Nano-Carriers of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride and C60 [Volume 3, Issue 4, 2016, Pages 87-92]
-
Fullerene
Investigating the Effect of Fullerene on the Basicity of Paraphenylenediamine by using the Quantum Chemistry Methods [Volume 6, Issue 3, 2019, Pages 156-162]
-
Fullerene
Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method [Volume 4, Issue 3, 2017, Pages 86-92]
-
Fullerene
A DFT Investigation on Fullerene (C20) Interaction with Nalidixic Acid [Volume 9, Issue 4, 2022, Pages 393-404]
-
Fullerenes
Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Pages 151-159]
-
Fullerenes
Computational Study of Chemical Properties in Fullerene Derivatives of Enalapril Drug [Volume 2, Issue 1, 2015, Pages 17-26]
-
Fullerenes
A Theoretical Study About Substituted Effect in Current Ring and Aromaticity with NICS Index in Nano Carrier Xylometazoline Drug [Volume 3, Issue 1, 2016, Pages 18-23]
-
Fullerenes
Quantum Chemistry Studies on Reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Acid Drug Linked to to C60 [Volume 3, Issue 2, 2016, Pages 52-56]
-
Fullerenes
Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 [Volume 3, Issue 3, 2016, Pages 69-73]
-
Fullerenes
Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations [Volume 3, Issue 4, 2016, Pages 112-116]
-
Fullerenes
Computational Computation of the Efferene Structure on the Para phenylene diamine [Volume 4, Issue 2, 2017, Pages 56-60]
-
Fullerenes
Investigation of Fullerene Effect on Reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR Parameters [Volume 2, Issue 4, 2015, Pages 79-82]
-
Fullerenes
Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 2, Issue 4, 2015, Pages 83-88]
-
Functional density theory
Investigating the Energy Efficiency of TEX High Energy Derivatives with Different Carbon Fuller Nano Structures under Different Temperature Conditions by DFT Method [Volume 3, Issue 4, 2016, Pages 98-104]
-
Functional density theory
Study of the Chemical Properties of RDX High-Energy Element and its Derivatives with Different Nanostructures of Mass by Functional Density Theory [Volume 4, Issue 3, 2017, Pages 78-85]
-
Functional density theory
Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method [Volume 4, Issue 3, 2017, Pages 86-92]
-
Functional density theory
Adsorption of procarbazine anti-cancer Drug on the Surface of graphene: A DFT Study [Volume 8, Issue 4, 2021, Pages 485-497]
-
Functional dyes
Design and TDDFT study of the novel structures similar to BODIPY with prominent fluorescence properties [Volume 9, Issue 1, 2022, Pages 36-52]
-
Functions
Comparison of Thermodynamic Functions of Idarubicin Cancer Drug Interaction with Carbon Nanotube:QM/MM studies [Volume 8, Issue 1, 2021, Pages 30-40]
G
-
Gallium
Selective Separation and Preconcentration of Trace Amounts of Gallium in Water and Rice Samples Using Cloud Point Extraction and Determination by Inductively Coupled Plasma-Atomic Emission Spectrometry [Volume 5, Issue 3, 2018, Pages 124-139]
-
Gas chromatography-electron capture detector
Determination of Selected Pesticide Residues from Gilgel Gibe (I) Hydroelectric Dam Reservoir and Its Tributaries, Jimma Zone, Ethiopia [Volume 7, Issue 1, 2020, Pages 14-29]
-
Gas condensate
Modeling of the Hydrodesulfurization process of natural gas condensates [Volume 9, Issue 4, 2022, Pages 309-320]
-
Gas injection
Investigation and Possibility of Applying Gas Injection Method to Increase Pressure in Well A in one of the South Iranian Oil Fields [Volume 9, Issue 1, 2022, Pages 1-13]
-
Gas phase
Computational Study of Structures and Electronic Properties of the Catapres on Nano Structure of Fullerene with Calculations method [Volume 3, Issue 3, 2016, Pages 57-61]
-
Gas refinery effluent
Investigation on the photocatalytic activity of TiO2@WO3/ZnO catalyst in the waste water treatment containing alkanolamine contaminants [Volume 9, Issue 4, 2022, Pages 262-284]
-
Gattar
Evaluating Commercial Macroporous Resin (D201) for Uranium Uptake in Static and Dynamic Fixed Bed Ion Exchange Column [Volume 7, Issue 2, 2020, Pages 150-168]
-
Geometry
Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods [Volume 5, Issue 2, 2018, Pages 65-75]
-
GGA and Mg(BiO2)2
A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach [Volume 7, Issue 3, 2020, Pages 247-255]
-
Glutamine
The Effect of Glutamine on Conductivity and Energetic Properties in Graphene: A DFT Studies [Volume 1, Issue 4, 2014, Pages 166-171]
-
Glycine
QSAR Relationships The Changes in the Ratio of Electrons to the Natural Charge of Atoms in the Complexes of Glycine and Alanine Amino Acids with Intermediates [Volume 4, Issue 2, 2017, Pages 28-38]
-
Glycine
Determination of Thermodynamic Stability of a Ni (II) Glycine Complexes in aqueous solution: Potentiometric and Spectroscopic Studies [Volume 10, Issue 4, 2023, Pages 223-235]
-
Graphene
Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study [Volume 2, Issue 3, 2015, Pages 50-54]
-
Graphene
A Thermodynamic Study on Nano-graphene Interaction with the Amino acid Phenylalanine in Acidic and Alkaline Conditions at Different Temperatures [Volume 5, Issue 4, 2018, Pages 148-158]
-
Graphene
Adsorption of procarbazine anti-cancer Drug on the Surface of graphene: A DFT Study [Volume 8, Issue 4, 2021, Pages 485-497]
-
Graphene
Graphene Heating Film Preparation and Performance Evaluation [Volume 9, Issue 3, 2022, Pages 238-249]
-
Green Chemistry
Effective Parameters on Biosynthesis of Silver using the Pelargonium sidoides Root Extract" [Volume 9, Issue 2, 2022, Pages 129-143]
-
Green Chemistry
Synthesis and characterization of Copper Nanoparticles Utilizing Pomegranate Peel Extract and Its Antibacterial Activity [Volume 10, Issue 1, 2023, Pages 43-52]
-
Green Chemistry
Facile Green Synthesis of Copper Nanoparticles (Cu NPs ) utilizing Passiflora caerulea L. Leaves Extrac [Volume 10, Issue 2, 2023, Pages 106-115]
-
Green Oxidation
Study on Catalytic Synthesis of Azodicarbonamide with Hydrogen Peroxide as a Green Oxidant [Volume 8, Issue 3, 2021, Pages 356-364]
-
Green synthesis
Study on the Effect of Rainfall Level on the Size of Silver Nanoparticles Synthesized by Plants of the Lamiaceae Family in Different Regions of Iran [Volume 5, Issue 3, 2018, Pages 103-112]
-
Green synthesis
Facile and Eco-Friendly Method for Synthesis of Calcium Oxide Nanoparticles utilizing Pistacia atlanica leaf extracts and its characterization [Volume 10, Issue 1, 2023, Pages 27-34]
-
Guanine Complexes
Chemical and Biological Study of Some Transition Metal Complexes with Guanine as Ligand [Volume 10, Issue 3, 2023, Pages 172-183]
-
Guna Seed oil
FORMULATION OF EMULSION PAINT USING BENIGN HGSO/PVAc COPOLYMER AS A BINDER [Volume 10, Issue 2, 2023, Pages 124-133]
H
-
Hallucination Aromatization
Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine [Volume 3, Issue 4, 2016, Pages 93-97]
-
Halogens
Quantum Mechanic Studies of Natural Bond Orbital & Stabilities of [CuCH2SiMe3]4Complexes With Different Halogens [Volume 3, Issue 1, 2016, Pages 1-6]
-
Hardness
Exploration of the microstructures of two series of chromium–rich Mn–based alloys elaborated by casting [Volume 7, Issue 4, 2020, Pages 318-335]
-
Hartree- Fock
A Theoretical Study of Dipole Moments, Energy Levels and Structural Parameters in the Oxymetazoline Drug as a Nano Carrier Based on Fullerene with Changing Substitution [Volume 3, Issue 1, 2016, Pages 12-17]
-
Hartree-Fock
Investigating the Effect of Fullerene on the Basicity of Paraphenylenediamine by using the Quantum Chemistry Methods [Volume 6, Issue 3, 2019, Pages 156-162]
-
Hemuglobin S
Designing novel molecule (V-NNC) based on Voxelotor (GBT-440) against sickle cell disease (SCD) via binding to carbonmonoxy hemoglobin S [Volume 8, Issue 4, 2021, Pages 498-514]
-
Hepatocellular Carcinoma
Computational Study and Design of Novel Chemotherapeutic Agents against Hepatocellular Carcinoma [Volume 10, Issue 2, 2023, Pages 84-105]
-
HepG2
Computational Study and Design of Novel Chemotherapeutic Agents against Hepatocellular Carcinoma [Volume 10, Issue 2, 2023, Pages 84-105]
-
Hexaferrite
Structural, Magnetic and Electromagnetic Absorption Properties of SrFe11.98Mg0.1Sn0.1O19/BaTiO3 Nanocomposites Prepared By Sol- Gel Auto Combustion Method [Volume 8, Issue 4, 2021, Pages 474-484]
-
HF
Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods [Volume 5, Issue 2, 2018, Pages 65-75]
-
HF
Comparison of Hartree Factor and Density Function Theory in Calculating Coating Constants and NMR Parameters of Chromate and Molecular Complexes with Alanine and Glycine [Volume 4, Issue 1, 2017, Pages 17-27]
-
HF
Comparison of Stability Cu(C7H3NO4)2 and Valance / Charge Ratio of Oxygen and Carbon atoms in the Complex by Changing the Vinyl, Acetylene, isopropil [Volume 4, Issue 2, 2017, Pages 50-55]
-
High energy energy derivatives
Investigating the Energy Efficiency of TEX High Energy Derivatives with Different Carbon Fuller Nano Structures under Different Temperature Conditions by DFT Method [Volume 3, Issue 4, 2016, Pages 98-104]
-
High energy energy derivatives
Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy [Volume 3, Issue 4, 2016, Pages 105-111]
-
High energy energy derivatives
Study of the Chemical Properties of RDX High-Energy Element and its Derivatives with Different Nanostructures of Mass by Functional Density Theory [Volume 4, Issue 3, 2017, Pages 78-85]
-
HMX
The Energetic, Check of Derived Boron Nitride Nano- cage with (HMX) in Different Conditions of Temperature by Density Functional Theory Method [Volume 5, Issue 1, 2018, Pages 26-32]
-
HMX
Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy [Volume 3, Issue 4, 2016, Pages 105-111]
-
HOMO
The Prediction of Thermo Physical, Vibrational Spectroscopy, Chemical Reactivity, Biological Properties of Morpholinium Borate, Phosphate, Chloride and Bromide Ionic Liquid: A DFT Study [Volume 6, Issue 4, 2019, Pages 236-253]
-
HOMO -LUMO
A computational estimation for alkyl chain effect in Schiff base pyridinium fluoride ionic liquid on chemical reactivity, thermophysical properties, pharmacokinetics, and biological activity by DFT approach [Volume 8, Issue 3, 2021, Pages 252-264]
-
HOMO-LUMO
Theoretical Study of M2X4 (M=C, X=H, F, and Cl) Structures by using HOMO, LUMO, NBO, and NMR analysis [Volume 8, Issue 2, 2021, Pages 198-221]
-
HOMO/LUMO
The Effect of Glutamine on Conductivity and Energetic Properties in Graphene: A DFT Studies [Volume 1, Issue 4, 2014, Pages 166-171]
-
HOMO-LUMO gap
Investigation of Nickle Nanoclusters Properties by Density Functional Theory [Volume 5, Issue 4, 2018, Pages 188-196]
-
Honey
PHYSIO – CHEMICAL PARAMETERS OF SOME LIBYAN SAMPLES [(Articles in Press)]
-
HPLC
Isolation, Purification and Identification of β-carotene from Azolla Pinnata R. Br. as a New Carotenoid Wealthy Source [Volume 8, Issue 3, 2021, Pages 265-276]
-
Human Impacts
Heavy metal content analysis of herbal plants gathered in various parts of Faisalabad, Pakistan [(Articles in Press)]
-
Hydrate
Investigation the Kinetics of CO2 Hydrate Formation in the Water System + CTAB + TBAF + ZnO [Volume 7, Issue 3, 2020, Pages 195-219]
-
Hydrate
A review of Kinetics of Hydrate Formation and the Mechanism of the Effect of the inhibitors on it [Volume 8, Issue 1, 2021, Pages 41-58]
-
Hydrazine
Study on the Preparation and Modification of Hydrazodicarbonamide [Volume 9, Issue 1, 2022, Pages 14-20]
-
Hydrazodicarbonamide
Study on the Preparation and Modification of Hydrazodicarbonamide [Volume 9, Issue 1, 2022, Pages 14-20]
-
Hydrazodicarbonamide
The discussion on synthesis process of Azodicarbonamide [Volume 8, Issue 2, 2021, Pages 164-172]
-
Hydrazodicarbonamide
Study on Catalytic Synthesis of Azodicarbonamide with Hydrogen Peroxide as a Green Oxidant [Volume 8, Issue 3, 2021, Pages 356-364]
-
Hydrogel
A Review of Frontal Polymerization in the Chemical Industry [Volume 9, Issue 4, 2022, Pages 285-308]
-
Hydrogen
The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Pages 160-165]
-
Hydrogenation
Effect of Support Nature on Performance and Kinetics of Nickel Nanoparticles in Toluene Hydrogenation [Volume 6, Issue 1, 2019, Pages 23-33]
-
Hydrogen bond
Study of the Formation, Energetics, Specific Interaction, Charge Transfer and Nature of Hydrogen Bonds in Dimerization of the 2PY (C5H4X N (O) Derivatives (X= F, Cl, and Br): DFT, AIM and NBO analyses [Volume 8, Issue 3, 2021, Pages 277-297]
-
Hydrogen bond
Investigation of the conversion process of verdoheme Hydroxyl Iron (II) to biliverdin Iron (II): Theoretical study [Volume 9, Issue 2, 2022, Pages 84-101]
-
Hydrogen bonding
Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods [Volume 5, Issue 2, 2018, Pages 65-75]
-
Hydrogen energy
Fusion of Power and Storage: Leveraging Nuclear Energy for Hydrogen Production and Advanced Energy Storage [(Articles in Press)]
-
Hydrogen peroxide oxidation
Study on Catalytic Synthesis of Azodicarbonamide with Hydrogen Peroxide as a Green Oxidant [Volume 8, Issue 3, 2021, Pages 356-364]
-
Hydrogen Sulfide
Study of B12N12 and AlB11N12 Fullerene as H2S Absorbent and Sensor by Computational Method [Volume 2, Issue 1, 2015, Pages 1-7]
-
Hydrolysis verdohemes
Investigation of the conversion process of verdoheme Hydroxyl Iron (II) to biliverdin Iron (II): Theoretical study [Volume 9, Issue 2, 2022, Pages 84-101]
-
Hydrophilic desulfurization
Modeling of the Hydrodesulfurization process of natural gas condensates [Volume 9, Issue 4, 2022, Pages 309-320]
-
Hydroquinone
Hydroquinone Detection by BN Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 115-125]
-
Hydrothermal
Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Pages 113-123]
-
Hydrothermal
Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Pages 190-197]
-
Hydrothermal center
Photocatalytic degradation of methyl orange dye using bismuth oxide nanoparticles under visible radiation [Volume 8, Issue 3, 2021, Pages 229-239]
-
Hydrothermal method
Use of Magnesium Ferrite as Catalyst in Cannizaro Reaction [Volume 10, Issue 3, 2023, Pages 162-171]
-
Hydroxylation
FORMULATION OF EMULSION PAINT USING BENIGN HGSO/PVAc COPOLYMER AS A BINDER [Volume 10, Issue 2, 2023, Pages 124-133]
-
Hydroxylation
OPTIMIZATION OF TRADITIONAL POLYVINYL ACETATE WITH HYDROXYLATED GUNA SEED OIL AS A FEASIBLE COPOLYMER BINDER [(Articles in Press)]
I
-
Idarubicin
Comparison of Thermodynamic Functions of Idarubicin Cancer Drug Interaction with Carbon Nanotube:QM/MM studies [Volume 8, Issue 1, 2021, Pages 30-40]
-
Imaginary Frequencies and Trans-bent configuration
A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound [Volume 6, Issue 4, 2019, Pages 277-288]
-
Imine
The Synthesis of Imine from the Reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in Different Temperature Conditions by DFT method [Volume 5, Issue 2, 2018, Pages 56-64]
-
Imine (Schiff' s Bases)
Synthesis, characterization and antibacterial activities of new substituted (1,3)oxazepine 1,5-diones [Volume 10, Issue 2, 2023, Pages 116-123]
-
Index of Geoaccumulation
Assessment of the Total Petroleum Hydrocarbons and Heavy Metal Concentrations in Soils around Car Washing Stations in Misurata, Libya [Volume 8, Issue 4, 2021, Pages 453-473]
-
Induction time
An Empirical Technique for Prediction of Nucleation Mechanism and Interfacial Tension of Potassium Chloride Nanoparticles [Volume 6, Issue 1, 2019, Pages 43-57]
-
Inductively coupled plasma atomic emission spectrometry
Selective Separation and Preconcentration of Trace Amounts of Gallium in Water and Rice Samples Using Cloud Point Extraction and Determination by Inductively Coupled Plasma-Atomic Emission Spectrometry [Volume 5, Issue 3, 2018, Pages 124-139]
-
Insilico
Computational Study and Design of Novel Chemotherapeutic Agents against Hepatocellular Carcinoma [Volume 10, Issue 2, 2023, Pages 84-105]
-
Integrase
Molecular Docking of Pyrazole Inhibitors Against Integrase Receptor: A Computational Quantum Approach [Volume 9, Issue 3, 2022, Pages 191-200]
-
Interaction
Theoretical Studies of Interaction Melphalan Anticancer Drug with Functionalized Carbon Nanotube: Thermodynamics Studies [Volume 8, Issue 2, 2021, Pages 173-180]
-
Interaction energy
Study of the Formation, Energetics, Specific Interaction, Charge Transfer and Nature of Hydrogen Bonds in Dimerization of the 2PY (C5H4X N (O) Derivatives (X= F, Cl, and Br): DFT, AIM and NBO analyses [Volume 8, Issue 3, 2021, Pages 277-297]
-
Interaction rate
Optimization of Corrosion Information in Oil and Gas Wells Using Electrochemical Experiments [Volume 8, Issue 2, 2021, Pages 149-163]
-
Interfacial tension
An Empirical Technique for Prediction of Nucleation Mechanism and Interfacial Tension of Potassium Chloride Nanoparticles [Volume 6, Issue 1, 2019, Pages 43-57]
-
Intrinsic Reaction Coordinate (IRC)
Intrinsic distortion in the analysis of the Jahn-Teller effect: by Transition state theory (TST) and Nitrogen inversion [Volume 8, Issue 4, 2021, Pages 386-399]
-
Iodine value
Extraction and Determination of Active Composite in the Cultivated Daucus Carota (Carrot) Seed Oil [Volume 8, Issue 1, 2021, Pages 74-87]
-
Ionic liquid
Green and efficient Synthesis of Some Thiazolopyrimidine Derivatives under Catalyst-Free Conditions [Volume 9, Issue 3, 2022, Pages 214-224]
-
Ionic liquids
A computational estimation for alkyl chain effect in Schiff base pyridinium fluoride ionic liquid on chemical reactivity, thermophysical properties, pharmacokinetics, and biological activity by DFT approach [Volume 8, Issue 3, 2021, Pages 252-264]
-
Ionophore
Evaluating the Performance of 2,3-dihydro-1H-phenothiazine-4(5aH)-one as an Ionophore in Construction of a Cation Selective Electrode by Density Functional Theory [Volume 5, Issue 1, 2018, Pages 1-10]
-
Ion selective electrode
Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Pages 198-214]
-
IR
Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 [Volume 3, Issue 3, 2016, Pages 69-73]
-
Iron(II) ion
Removal of Fe(II) from Aqueous Solution Using Characterized Cellulose of Pentaclethra macrophylla Benth Pod: Adsorption, Thermodynamic, and Kinetic Studies [(Articles in Press)]
K
-
Kanemite
Kanemite: an easily prepared and highly efficient catalyst for biodiesel production optimized by response surface methodology [Volume 7, Issue 3, 2020, Pages 232-246]
-
Keq
Investigation of the conversion process of verdoheme Hydroxyl Iron (II) to biliverdin Iron (II): Theoretical study [Volume 9, Issue 2, 2022, Pages 84-101]
-
Keywords: Biological activity
QSAR modeling and molecular docking of matrine derivatives as potential anticancer agents [(Articles in Press)]
-
Keywords: Cloud point extraction
Selective Separation and Preconcentration of Trace Amounts of Gallium in Water and Rice Samples Using Cloud Point Extraction and Determination by Inductively Coupled Plasma-Atomic Emission Spectrometry [Volume 5, Issue 3, 2018, Pages 124-139]
-
Keywords: Density function theory
Study of the Formation, Energetics, Specific Interaction, Charge Transfer and Nature of Hydrogen Bonds in Dimerization of the 2PY (C5H4X N (O) Derivatives (X= F, Cl, and Br): DFT, AIM and NBO analyses [Volume 8, Issue 3, 2021, Pages 277-297]
-
KEYWORDS: Fumes
ASSESSMENT OF AIR POLLUTANTS FROM GENERATOR FUMES IN EBONYI STATE UNIVERSITY BUSINESS CENTERS [(Articles in Press)]
-
Keywords: nanoparticles
A density functional theory study on nanostructures including sumanene, corannulene and nanosheet as the anodes in Be−ion Batteries [Volume 8, Issue 4, 2021, Pages 425-441]
-
Keywords: Vanadium Oxide Nanotubes (VONTs)
Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Pages 113-123]
-
Knowledge Management
Effects of Learning Management System (LMS) and Knowledge Management (KM) [Volume 8, Issue 2, 2021, Pages 181-197]
-
Knowledge sharing
Effects of Learning Management System (LMS) and Knowledge Management (KM) [Volume 8, Issue 2, 2021, Pages 181-197]
L
-
Langmuir model
Fabrication and characterization of a novel magnetic MIL-101(Cr) nanocomposite for selective selenite removal [Volume 8, Issue 1, 2021, Pages 59-73]
-
Latium
Experimental Study of Nitrate Absorption Isotherms Determination on Latium Composite Overactive Carbon [Volume 2, Issue 4, 2015, Pages 65-72]
-
Leaf extract
Facile Green Synthesis of Copper Nanoparticles (Cu NPs ) utilizing Passiflora caerulea L. Leaves Extrac [Volume 10, Issue 2, 2023, Pages 106-115]
-
Level HF / 6-31G
Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine [Volume 3, Issue 4, 2016, Pages 93-97]
-
LHE
The role of insertion of Li atom in C60-Porphyrin-Metalloporphyrin, M = (V, Cr, Ni, Cu) as dyes in the DSSC by using the theoretical outlook [Volume 9, Issue 2, 2022, Pages 102-128]
-
Li2TiO3
Hydrothermal Synthesis of Monoclinic - Cubic Li2TiO3 Hybrid Nanocomposite Microspheres [Volume 6, Issue 1, 2019, Pages 58-65]
-
Libya
Comparative Study of the Physical Properties of Some Brands of Portland Cement Available in the Libyan Market [Volume 7, Issue 3, 2020, Pages 220-231]
-
Ligand
Molecular Docking of Pyrazole Inhibitors Against Integrase Receptor: A Computational Quantum Approach [Volume 9, Issue 3, 2022, Pages 191-200]
-
LMS
Effects of Learning Management System (LMS) and Knowledge Management (KM) [Volume 8, Issue 2, 2021, Pages 181-197]
-
Load
Investigating the Resonance Energy and Charge Transfer in the Clonidine and C60-Clonidine-Fullerene Carriers with Quantum Chemistry Calculations [Volume 3, Issue 2, 2016, Pages 31-35]
-
Load density
Study the efficiency of three organic pigments based on tri-azine with applicability in solar cells in order to achieve clean and renewable solar energy [Volume 10, Issue 4, 2023, Pages 268-287]
-
Lopressor Fullerenes
Computational Study of Chemical Properties in Fullerene Derivatives of (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol or Lopressor [Volume 3, Issue 3, 2016, Pages 74-78]
-
Low Dosage Hydrate Inhibitor
A review of Kinetics of Hydrate Formation and the Mechanism of the Effect of the inhibitors on it [Volume 8, Issue 1, 2021, Pages 41-58]
-
LUMO
The Prediction of Thermo Physical, Vibrational Spectroscopy, Chemical Reactivity, Biological Properties of Morpholinium Borate, Phosphate, Chloride and Bromide Ionic Liquid: A DFT Study [Volume 6, Issue 4, 2019, Pages 236-253]
-
LUMO and HOMO
Initial Study of the Effect of Substrates on Tetrahydrozoline and its Nano-Constituent Drugs [Volume 3, Issue 2, 2016, Pages 36-40]
M
-
M06−2X/6−31+G(d
A density functional theory study on nanostructures including sumanene, corannulene and nanosheet as the anodes in Be−ion Batteries [Volume 8, Issue 4, 2021, Pages 425-441]
-
Magnesium
Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Pages 198-214]
-
Magnetic graphene oxide composite
Removal of Toxic Cr(VI) Ions from Water Sample a Novel Magnetic Graphene Oxide Nanocomposite [Volume 7, Issue 1, 2020, Pages 30-46]
-
Magnetic Properties
Effects of Calcination Temperature on the Synthesis, Chemical Structure, and Magnetic Properties of Nano Crystallites Zinc Ferrite Prepared by Combination of Sol-Gel Auto-Combustion and Ultrasonic Irradiation Techniques [Volume 5, Issue 4, 2018, Pages 172-180]
-
Magnetic separation
Removal of Oil from Water Surfaces via Recyclable NiFe2O4/Polyurethane Sponge [Volume 8, Issue 3, 2021, Pages 240-251]
-
Magnetite composite
Fabrication and characterization of a novel magnetic MIL-101(Cr) nanocomposite for selective selenite removal [Volume 8, Issue 1, 2021, Pages 59-73]
-
Magnetite nanoparticles
Removal of toxic Tl(I) and Tl(III)ions from water sample a magnetite nanoparticle composite modified with aminodibenzo-18-crown-6 functionalized MIL-101(Cr) [Volume 10, Issue 1, 2023, Pages 53-64]
-
Main phase
Chemical Investigation of Drilling Flowers, Types of Contaminations and Ways to Treat Them [Volume 6, Issue 1, 2019, Pages 14-22]
-
Main Protease (Mpro)
New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19 [Volume 9, Issue 3, 2022, Pages 225-237]
-
Manganese-Based Alloys
Exploration of the microstructures of two series of chromium–rich Mn–based alloys elaborated by casting [Volume 7, Issue 4, 2020, Pages 318-335]
-
Matrine derivatives
QSAR modeling and molecular docking of matrine derivatives as potential anticancer agents [(Articles in Press)]
-
MDF Industries
The Assessment of Perceived Risk of Chemical-related Illness Among Inhabitant Community Adjacent to an Industrial Unit [Volume 6, Issue 4, 2019, Pages 224-235]
-
Mechanism
Effect of Support Nature on Performance and Kinetics of Nickel Nanoparticles in Toluene Hydrogenation [Volume 6, Issue 1, 2019, Pages 23-33]
-
Medicinal plants
Heavy metal content analysis of herbal plants gathered in various parts of Faisalabad, Pakistan [(Articles in Press)]
-
Meloidogyne arenaria
Nematicidal Activity Studies of Cu2+and Zn2+Complexes with Some Aldimine Ligands Against MeloidogyneArenaria: A Root Knot Nematode of Arachis Hypogea [Volume 8, Issue 3, 2021, Pages 365-385]
-
MEP
DFT Study, Physicochemical, Molecular Docking, and ADMET Predictions of some Modified Uridine Derivatives [Volume 8, Issue 1, 2021, Pages 88-110]
-
Mercury
Separation, Preconcentration and Determination of Hg (II) Ion in Water Samples by Cloud Point Extraction Technique Coupled with UV-Vis Spectrophotometry Using a New Complexing Agent [Volume 6, Issue 3, 2019, Pages 163-177]
-
Metal Complexes
Theoretical Study of Effect Ligands on Molecular & Orbital Properties of Cu Complexes of Industrial Dyes Formazan [Volume 3, Issue 1, 2016, Pages 7-11]
-
Metal Complexes
Synthesis, Characterization, and Antibacterial Studies of Metal Complexes with Tyrosine Ligand [(Articles in Press)]
-
Metal ions
Spectrophotometric Study of Complex Formations between Alprazolam and Some Transition Metal Ions in Non Aqueous Solution [Volume 7, Issue 2, 2020, Pages 137-149]
-
Metal ions
Metal ions and their Biological Functions in Human Body. [Volume 10, Issue 3, 2023, Pages 151-161]
-
Methanotrophic bacteria
Biofertilizer Production from Gas Refinery Wastewater [Volume 5, Issue 3, 2018, Pages 83-90]
-
Methylacetylene
Methyl Acetylene Detection by BN Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 99-107]
-
Methylene blue
Using an Agriculture Waster for Eliminating BG from Waste Water [(Articles in Press)]
-
Methylene blue
Investigating the performance of a recently synthesized covalent organic framework as an adsorbent for methylene blue: A DFT Study [Volume 9, Issue 4, 2022, Pages 383-392]
-
Methyl orange
Determination of Amitriptyline Using Bromate-Bromide and Two Dyes [Volume 1, Issue 1, 2014, Pages 41-50]
-
Methyl orange
Photocatalytic degradation of methyl orange dye using bismuth oxide nanoparticles under visible radiation [Volume 8, Issue 3, 2021, Pages 229-239]
-
Microextraction
Development of an Ultrasound Assisted Ion Pair Based Surfactant-enhanced Liquid–liquid Microextraction Technique Combined with Spectrophotometry for Preconcentration and Determination of Ultra-Trace Amounts of Sunset Yellow in Food Samples [Volume 9, Issue 4, 2022, Pages 336-350]
-
Microstructures
Exploration of the microstructures of two series of chromium–rich Mn–based alloys elaborated by casting [Volume 7, Issue 4, 2020, Pages 318-335]
-
Microwave Synthesis
Microwave Assisted Synthesis of N-Benzylenaminones Catalyzed by Chloroacetic Acid [Volume 1, Issue 4, 2014, Pages 145-150]
-
MIL-101(Cr)
Fabrication and characterization of a novel magnetic MIL-101(Cr) nanocomposite for selective selenite removal [Volume 8, Issue 1, 2021, Pages 59-73]
-
Mineral Acids
Chemical and Technical Investigations on Soil Characterization and Silicic Acid Preparation [Volume 9, Issue 4, 2022, Pages 250-261]
-
Misurata- Libya
Assessment of the Total Petroleum Hydrocarbons and Heavy Metal Concentrations in Soils around Car Washing Stations in Misurata, Libya [Volume 8, Issue 4, 2021, Pages 453-473]
-
Mixed solvent
Complexation of a Catecholamine with Zinc (II) in Media with Different Dielectric Constants [Volume 1, Issue 3, 2014, Pages 126-133]
-
Mn (CO) 5CH2F
A Comparative Study of the Carbonyl Positioning Mechanism in the Mn (CO) 5 CH2F and Mn (CO) 5CHF2 Complex through Quantum Chemistry [Volume 4, Issue 4, 2017, Pages 125-134]
-
Mn (CO) 5CH2F
Computational Investigation of Carbonyl Positioning Mechanism in Mn (CO) 5CH2F Complex by Functional Density Theory [Volume 4, Issue 4, 2017, Pages 135-143]
-
Mn (CO) 5CHF2
A Comparative Study of the Carbonyl Positioning Mechanism in the Mn (CO) 5 CH2F and Mn (CO) 5CHF2 Complex through Quantum Chemistry [Volume 4, Issue 4, 2017, Pages 125-134]
-
MNPs
Synthesis and characterization of biocompatible and magnetic ESW-Fe3O4-Cit nanocomposite by a green one-pot route [(Articles in Press)]
-
Modeling
Kinetic Study of the Adsorption of Zinc and Copper Ions on to Activated Carbon Prepared from Date Pits [Volume 9, Issue 1, 2022, Pages 21-35]
-
Modelling
Effect of Support Nature on Performance and Kinetics of Nickel Nanoparticles in Toluene Hydrogenation [Volume 6, Issue 1, 2019, Pages 23-33]
-
Molar Ratio Method
Chemical and Biological Study of Some Transition Metal Complexes with Guanine as Ligand [Volume 10, Issue 3, 2023, Pages 172-183]
-
Molecular Docking
Designing novel molecule (V-NNC) based on Voxelotor (GBT-440) against sickle cell disease (SCD) via binding to carbonmonoxy hemoglobin S [Volume 8, Issue 4, 2021, Pages 498-514]
-
Molecular Docking
Molecular docking studies on some derivatives of zanthone as potential anticancer agents [(Articles in Press)]
-
Molecular Docking study
Cytotoxic and Anticancer Studies of an Oxygen and Nitrogen Donor Novel Schiff Base Ligand and its Copper (II) Complex [Volume 6, Issue 1, 2019, Pages 1-13]
-
Molecular simulation
Design of Novel Drugs (P3TZ, H2P3TZ, M2P3TZ, H4P3TZ and M4P3TZ) Based on Zonisamide for Autism Treatment by Binding to Potassium Voltage-gated Channel Subfamily D Member 2 (Kv4.2) [Volume 6, Issue 4, 2019, Pages 254-276]
-
Molybdate anions
Thermodynamic-Biochemical Study of Complexes of Intermediate Elements with α-Amino Acids in Some Proteins with Active Site [Volume 4, Issue 2, 2017, Pages 39-43]
-
Monomer
Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method [Volume 4, Issue 3, 2017, Pages 86-92]
-
Monte Carlo
The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Pages 160-165]
-
Monte Carlo
Comparison of Thermodynamic Functions of Idarubicin Cancer Drug Interaction with Carbon Nanotube:QM/MM studies [Volume 8, Issue 1, 2021, Pages 30-40]
-
Monte Carlo Simulation
Surface Adsorption of Carbon Monoxide and Hydrogen Gases Mixed with Boron Nitride (7 ,7) Nanotubes by Monte Carlo Method [Volume 4, Issue 4, 2017, Pages 118-124]
-
Monte Carlo Simulation
Theoretical Studies of Interaction Melphalan Anticancer Drug with Functionalized Carbon Nanotube: Thermodynamics Studies [Volume 8, Issue 2, 2021, Pages 173-180]
-
Montmorillonite
Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Pages 61-64]
-
MoS2-Oxide
In-Situ Polymerization of UHMWPE Using Bi-Supported Ziegler-Natta Catalyst of MoS2 Oxide/MgCl2 (Ethoxide Type)/TiCl4/TiBA: Study of Thermo-Mechanical Properties of System [Volume 6, Issue 2, 2019, Pages 87-108]
-
Multi-walled carbon nanotube functionalization
Synthesis and characterization of poly methyl methacrylate-b-polystyrene copolymer/ multi -walled carbon nanotubes via ATRP and NMRP techniques [Volume 10, Issue 2, 2023, Pages 65-83]
N
-
Nafazolin
Ab Initio Studies: Effect of Various Substituted on Structural Parameters and Charge Transfer Energy of the Nafazolin drug and its Nano Carrier on Fullerene [Volume 3, Issue 2, 2016, Pages 41-46]
-
Nalidixic acid
A DFT Investigation on Fullerene (C20) Interaction with Nalidixic Acid [Volume 9, Issue 4, 2022, Pages 393-404]
-
Nano
Investigating the Effect of Nano Technology on Increasing Utilization in Oil Tanks and Wells in Upstream Industries [Volume 6, Issue 4, 2019, Pages 289-298]
-
Nano Carrier
Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water [Volume 4, Issue 3, 2017, Pages 72-77]
-
Nano Carrier
A Theoretical Study of Dipole Moments, Energy Levels and Structural Parameters in the Oxymetazoline Drug as a Nano Carrier Based on Fullerene with Changing Substitution [Volume 3, Issue 1, 2016, Pages 12-17]
-
Nano Carrier
Comparison of Structural Parameters in Antiparkinson's drug: Procyclidine & its Nano Carrier Based on Fullerene with Calculation Chemistry [Volume 3, Issue 1, 2016, Pages 24-30]
-
Nano Carrier
Ab Initio Studies: Effect of Various Substituted on Structural Parameters and Charge Transfer Energy of the Nafazolin drug and its Nano Carrier on Fullerene [Volume 3, Issue 2, 2016, Pages 41-46]
-
Nano Carrier
Ab Initio Study on Nano Carrier (RS)-2-(1,2,3,4- tetrahydronaphthalen -1-yl)-4,5-dihydro-1H-imidazol Drug about Substituted Effect in Energy Levels, Dipole moment and Structural Parameters [Volume 3, Issue 3, 2016, Pages 79-86]
-
Nano cellulose
Graphene Heating Film Preparation and Performance Evaluation [Volume 9, Issue 3, 2022, Pages 238-249]
-
Nano-composite
In-Situ Polymerization of UHMWPE Using Bi-Supported Ziegler-Natta Catalyst of MoS2 Oxide/MgCl2 (Ethoxide Type)/TiCl4/TiBA: Study of Thermo-Mechanical Properties of System [Volume 6, Issue 2, 2019, Pages 87-108]
-
Nanocomposite
Preperation and Characterization of TiO2 Fe2O3 Nanocomposite by Sol Gel Method [Volume 5, Issue 4, 2018, Pages 181-187]
-
Nanocomposite
Effects of Calcination Temperature on the Synthesis, Chemical Structure, and Magnetic Properties of Nano Crystallites Zinc Ferrite Prepared by Combination of Sol-Gel Auto-Combustion and Ultrasonic Irradiation Techniques [Volume 5, Issue 4, 2018, Pages 172-180]
-
Nanocomposite
Highly efficient degradation of MTBE by γ-Al2O3/NiO/TiO2 core- shell nanocomposite under visible light irradiation [Volume 8, Issue 2, 2021, Pages 222-228]
-
Nanocomposite
Role of Nanotechnology and Nanomaterials for Water Treatment and Environmental Remediation [Volume 9, Issue 3, 2022, Pages 165-190]
-
Nanocomposite
Synthesis and characterization of biocompatible and magnetic ESW-Fe3O4-Cit nanocomposite by a green one-pot route [(Articles in Press)]
-
Nanocone Sheet
TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study [Volume 7, Issue 1, 2020, Pages 74-86]
-
Nano drug carriers
Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Pages 151-159]
-
Nano drug carriers
Computational Study of Chemical Properties in Fullerene Derivatives of Enalapril Drug [Volume 2, Issue 1, 2015, Pages 17-26]
-
Nano drug carriers
A Theoretical Study About Substituted Effect in Current Ring and Aromaticity with NICS Index in Nano Carrier Xylometazoline Drug [Volume 3, Issue 1, 2016, Pages 18-23]
-
Nano drug carriers
Quantum Chemistry Studies on Reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Acid Drug Linked to to C60 [Volume 3, Issue 2, 2016, Pages 52-56]
-
Nano drug carriers
Computational Study of Chemical Properties in Fullerene Derivatives of (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol or Lopressor [Volume 3, Issue 3, 2016, Pages 74-78]
-
Nano drug carriers
Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations [Volume 3, Issue 4, 2016, Pages 112-116]
-
Nano drug carriers
Investigation of Fullerene Effect on Reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR Parameters [Volume 2, Issue 4, 2015, Pages 79-82]
-
Nano drug carriers
Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 2, Issue 4, 2015, Pages 83-88]
-
Nanoparticle
Study on the Effect of Rainfall Level on the Size of Silver Nanoparticles Synthesized by Plants of the Lamiaceae Family in Different Regions of Iran [Volume 5, Issue 3, 2018, Pages 103-112]
-
Nanoparticles of the same carbon
Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method [Volume 4, Issue 3, 2017, Pages 86-92]
-
Nanoporous
Removal of methylene blue by mesoporous CuO/SiO2 as catalyst [Volume 7, Issue 3, 2020, Pages 169-183]
-
Nanosheet
A density functional theory study on nanostructures including sumanene, corannulene and nanosheet as the anodes in Be−ion Batteries [Volume 8, Issue 4, 2021, Pages 425-441]
-
Nanostructured catalyst
Superparamagnetic core-shell metal-organic framework (Fe3O4@Ni-Co-BTC NPs): an efficient and magnetically retrievable nanostructured catalyst for the reduction of nitro compounds to amines [Volume 9, Issue 1, 2022, Pages 53-76]
-
Nanostructured materials
Review on types of nanostructured materials [(Articles in Press)]
-
Nanotechnology
Advance Technology in Wastewater Treatment: A Brief Assessment [Volume 9, Issue 2, 2022, Pages 153-164]
-
Nanotechnology
Role of Nanotechnology and Nanomaterials for Water Treatment and Environmental Remediation [Volume 9, Issue 3, 2022, Pages 165-190]
-
Nanotechnology
Review on types of nanostructured materials [(Articles in Press)]
-
Nanotube
Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 1, 2014, Pages 1-9]
-
Nanotube
Adsorption of Ethanol by Using BN Nanotube: A DFT Study [Volume 1, Issue 1, 2014, Pages 22-29]
-
Nanotube
Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 2, 2014, Pages 51-59]
-
Nanotube
Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 2, 2014, Pages 68-76]
-
Nanotube
Adsorption of Pyridine by Using BeO Nanotube: A DFT Study [Volume 1, Issue 2, 2014, Pages 77-86]
-
Nanotube
Methyl Acetylene Detection by BN Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 99-107]
-
Nanotube
Hydroquinone Detection by BN Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 115-125]
-
Nanotube
Pyrrole Detection by BeO Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 134-144]
-
Natural bond analysis (NBO)
Intrinsic distortion in the analysis of the Jahn-Teller effect: by Transition state theory (TST) and Nitrogen inversion [Volume 8, Issue 4, 2021, Pages 386-399]
-
Natural product
Isolation, Purification and Identification of β-carotene from Azolla Pinnata R. Br. as a New Carotenoid Wealthy Source [Volume 8, Issue 3, 2021, Pages 265-276]
-
NBO
Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Pages 55-60]
-
NBO
The AIM, NBO Thermodynamic, and Quantum Study of the Interaction Nitramide Molecule with Pristine, B, As and B&As Doped of AlNNTs [Volume 6, Issue 2, 2019, Pages 109-132]
-
NBO
Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 [Volume 3, Issue 3, 2016, Pages 69-73]
-
NBO
Investigating the Effect of Fullerene on the Basicity of Paraphenylenediamine by using the Quantum Chemistry Methods [Volume 6, Issue 3, 2019, Pages 156-162]
-
NBO
QSAR Relationships The Changes in the Ratio of Electrons to the Natural Charge of Atoms in the Complexes of Glycine and Alanine Amino Acids with Intermediates [Volume 4, Issue 2, 2017, Pages 28-38]
-
NBO analysis
Synthesis and Theoretical Studies of [2-amino-3-(ethoxycarbonyl)-1,4-dihydro-1-phenyl-4-pyridinyl] Ferrocene Derivatives [Volume 7, Issue 4, 2020, Pages 283-295]
-
NBO analysis
Theoretical Study of M2X4 (M=C, X=H, F, and Cl) Structures by using HOMO, LUMO, NBO, and NMR analysis [Volume 8, Issue 2, 2021, Pages 198-221]
-
NBO ( natural bond orbital analysis)
Computational Review of Conformers 2-choroacetaldehyd [Volume 8, Issue 3, 2021, Pages 345-355]
-
N-bromosuccinimide
Investigation of Dibromo and N-bromoacetyl Derivatives of [b] carbazole-synthesis and Antibacterial Evaluation [Volume 6, Issue 2, 2019, Pages 66-75]
-
NICS
Initial Studies of the Effects of Halogenated Dispersions on the Amount of NICS of Rings for C8H12XNO2 [Volume 4, Issue 1, 2017, Pages 1-5]
-
NICS
Investigating the Effect of Changes of Halogenated Compounds on the Aromaticity Flow (NICS) of Rings 5-fluorophenyl-1, 3, 7, 9-tetra methylpyrido [2,3] [d-5,6 dipyrimidine -2, 4, 6 and 8 tetron [Volume 4, Issue 1, 2017, Pages 6-11]
-
Ni(II) complexes
Determination of Thermodynamic Stability of a Ni (II) Glycine Complexes in aqueous solution: Potentiometric and Spectroscopic Studies [Volume 10, Issue 4, 2023, Pages 223-235]
-
Ni nanocluster
Investigation of Nickle Nanoclusters Properties by Density Functional Theory [Volume 5, Issue 4, 2018, Pages 188-196]
-
Nitramine
The AIM, NBO Thermodynamic, and Quantum Study of the Interaction Nitramide Molecule with Pristine, B, As and B&As Doped of AlNNTs [Volume 6, Issue 2, 2019, Pages 109-132]
-
Nitration
Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Pages 61-64]
-
Nitro compounds
Superparamagnetic core-shell metal-organic framework (Fe3O4@Ni-Co-BTC NPs): an efficient and magnetically retrievable nanostructured catalyst for the reduction of nitro compounds to amines [Volume 9, Issue 1, 2022, Pages 53-76]
-
NMR
Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Pages 55-60]
-
NMR
Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 [Volume 3, Issue 3, 2016, Pages 69-73]
-
NMRP
Synthesis and characterization of poly methyl methacrylate-b-polystyrene copolymer/ multi -walled carbon nanotubes via ATRP and NMRP techniques [Volume 10, Issue 2, 2023, Pages 65-83]
-
NMR shielding
Theoretical Study of M2X4 (M=C, X=H, F, and Cl) Structures by using HOMO, LUMO, NBO, and NMR analysis [Volume 8, Issue 2, 2021, Pages 198-221]
-
Normal Coordinate (Q)
Intrinsic distortion in the analysis of the Jahn-Teller effect: by Transition state theory (TST) and Nitrogen inversion [Volume 8, Issue 4, 2021, Pages 386-399]
-
Nuclear Energy
Fusion of Power and Storage: Leveraging Nuclear Energy for Hydrogen Production and Advanced Energy Storage [(Articles in Press)]
-
Nuclear Reactor
Fusion of Power and Storage: Leveraging Nuclear Energy for Hydrogen Production and Advanced Energy Storage [(Articles in Press)]
-
Nucleation mechanism
An Empirical Technique for Prediction of Nucleation Mechanism and Interfacial Tension of Potassium Chloride Nanoparticles [Volume 6, Issue 1, 2019, Pages 43-57]
O
-
Oil Field
Investigation and Possibility of Applying Gas Injection Method to Increase Pressure in Well A in one of the South Iranian Oil Fields [Volume 9, Issue 1, 2022, Pages 1-13]
-
Oil Well
Monitoring of Sand Concentration in Some Oil Wells in the Niger Delta Area of Nigeria [Volume 8, Issue 4, 2021, Pages 413-424]
-
Open3DALIGN
2D-QSAR, 3D-QSAR, molecular docking, and molecular dynamics simulations in the probe of novel type I diabetes treatment [Volume 9, Issue 4, 2022, Pages 351-382]
-
Open3DQSAR
2D-QSAR, 3D-QSAR, molecular docking, and molecular dynamics simulations in the probe of novel type I diabetes treatment [Volume 9, Issue 4, 2022, Pages 351-382]
-
Operation simulation
Economic Equation and Optimization of Artificial Gas Lift with Coil Tubing Based on Dynamic Simulation in One of Iranian Offshore Fields [Volume 8, Issue 1, 2021, Pages 111-130]
-
Optical Properties
Design and TDDFT study of the novel structures similar to BODIPY with prominent fluorescence properties [Volume 9, Issue 1, 2022, Pages 36-52]
-
Optimization
OPTIMIZATION OF TRADITIONAL POLYVINYL ACETATE WITH HYDROXYLATED GUNA SEED OIL AS A FEASIBLE COPOLYMER BINDER [(Articles in Press)]
-
Oral Squamous Cell Carcinoma
Cytotoxic effects of Anacyclus pyrethrum, Terminalia chebula, and Brassica nigra ethanol extracts on KB cancer cell line [Volume 10, Issue 1, 2023, Pages 35-42]
-
Orbital Molecular level
Computational Study of Structures and Electronic Properties of the Catapres on Nano Structure of Fullerene with Calculations method [Volume 3, Issue 3, 2016, Pages 57-61]
-
Organic pigments
Study the efficiency of three organic pigments based on tri-azine with applicability in solar cells in order to achieve clean and renewable solar energy [Volume 10, Issue 4, 2023, Pages 268-287]
-
Organic pollutant
Removal of methylene blue by mesoporous CuO/SiO2 as catalyst [Volume 7, Issue 3, 2020, Pages 169-183]
-
Osmabenzene
The Study of Substituent Effect on Osmabenzene Complexes [Volume 1, Issue 1, 2014, Pages 30-40]
-
Oxazine
Pharmacological Profile of Oxazine and its Derivatives: A Mini Review [Volume 7, Issue 1, 2020, Pages 60-73]
-
Oxidant
The discussion on synthesis process of Azodicarbonamide [Volume 8, Issue 2, 2021, Pages 164-172]
-
Oxycodone
A Simple Electrochemical Sensor for Rapid Determination of Oxycodone [Volume 10, Issue 4, 2023, Pages 258-267]
-
Oxymetazoline
A Theoretical Study of Dipole Moments, Energy Levels and Structural Parameters in the Oxymetazoline Drug as a Nano Carrier Based on Fullerene with Changing Substitution [Volume 3, Issue 1, 2016, Pages 12-17]
P
-
Palm oil
Eco-Energy Innovation Of Charcoal Briquettes With Palm Oil Fronds And Stems As Raw Materials [Volume 10, Issue 4, 2023, Pages 236-241]
-
Paraffenylenediamine
Computational Computation of the Efferene Structure on the Para phenylene diamine [Volume 4, Issue 2, 2017, Pages 56-60]
-
Parkinson
Comparison of Structural Parameters in Antiparkinson's drug: Procyclidine & its Nano Carrier Based on Fullerene with Calculation Chemistry [Volume 3, Issue 1, 2016, Pages 24-30]
-
Participation of atomic orbital
Computational Investigation of the Effect of Changes in Halogenated on Factors in Nano-Carriers of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride and C60 [Volume 3, Issue 4, 2016, Pages 87-92]
-
Passiflora caerulea
Facile Green Synthesis of Copper Nanoparticles (Cu NPs ) utilizing Passiflora caerulea L. Leaves Extrac [Volume 10, Issue 2, 2023, Pages 106-115]
-
PDOS
A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach [Volume 7, Issue 3, 2020, Pages 247-255]
-
Pelargonium sidoides root extract
Effective Parameters on Biosynthesis of Silver using the Pelargonium sidoides Root Extract" [Volume 9, Issue 2, 2022, Pages 129-143]
-
Pentaclethra macrophylla Benth
Removal of Fe(II) from Aqueous Solution Using Characterized Cellulose of Pentaclethra macrophylla Benth Pod: Adsorption, Thermodynamic, and Kinetic Studies [(Articles in Press)]
-
Perceived Risk Assessment
The Assessment of Perceived Risk of Chemical-related Illness Among Inhabitant Community Adjacent to an Industrial Unit [Volume 6, Issue 4, 2019, Pages 224-235]
-
Perceive risk
The Assessment of Perceived Risk of Chemical-related Illness Among Inhabitant Community Adjacent to an Industrial Unit [Volume 6, Issue 4, 2019, Pages 224-235]
-
Permeability
Chemical and Technical Investigations on Soil Characterization and Silicic Acid Preparation [Volume 9, Issue 4, 2022, Pages 250-261]
-
Perovskite
Structural, Magnetic and Electromagnetic Absorption Properties of SrFe11.98Mg0.1Sn0.1O19/BaTiO3 Nanocomposites Prepared By Sol- Gel Auto Combustion Method [Volume 8, Issue 4, 2021, Pages 474-484]
-
Persian blue
Electrochemical determination of Uric acid by persian blue modified electrode with sol gel method [(Articles in Press)]
-
Pesticide residues
Determination of Selected Pesticide Residues from Gilgel Gibe (I) Hydroelectric Dam Reservoir and Its Tributaries, Jimma Zone, Ethiopia [Volume 7, Issue 1, 2020, Pages 14-29]
-
Phenergan
Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations [Volume 3, Issue 4, 2016, Pages 112-116]
-
Ph meter
Using an Agriculture Waster for Eliminating BG from Waste Water [(Articles in Press)]
-
Photocatalytic application
Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Pages 8-16]
-
Photocatalytic degradation
Photocatalytic degradation of methyl orange dye using bismuth oxide nanoparticles under visible radiation [Volume 8, Issue 3, 2021, Pages 229-239]
-
Photodegradation
Highly efficient degradation of MTBE by γ-Al2O3/NiO/TiO2 core- shell nanocomposite under visible light irradiation [Volume 8, Issue 2, 2021, Pages 222-228]
-
Physicochemical characteristics
Chemical and Technical Investigations on Soil Characterization and Silicic Acid Preparation [Volume 9, Issue 4, 2022, Pages 250-261]
-
Physico-chemical Properties
Assessment of Selected Physico-Chemical Properties and Metals in Qeera Stream Water, Bakkee-Jamaa, Nekemte, Ethiopia [Volume 7, Issue 1, 2020, Pages 47-59]
-
Physiochemical properties
Extraction and Determination of Active Composite in the Cultivated Daucus Carota (Carrot) Seed Oil [Volume 8, Issue 1, 2021, Pages 74-87]
-
Phytoremediation
Efficiency of Aptenia Cordifolia Mucilage in Removal of Anion Dyes from Aqueous Solution [Volume 7, Issue 2, 2020, Pages 111-124]
-
Pistacia Atlantica
Facile and Eco-Friendly Method for Synthesis of Calcium Oxide Nanoparticles utilizing Pistacia atlanica leaf extracts and its characterization [Volume 10, Issue 1, 2023, Pages 27-34]
-
Pistacia vera
Studying the Biosynthesis, Characterization, and Antibacterial Activity of Copper Oxide Nanoparticles [Volume 10, Issue 3, 2023, Pages 184-196]
-
Plant
Study on the Effect of Rainfall Level on the Size of Silver Nanoparticles Synthesized by Plants of the Lamiaceae Family in Different Regions of Iran [Volume 5, Issue 3, 2018, Pages 103-112]
-
Pod
Removal of Fe(II) from Aqueous Solution Using Characterized Cellulose of Pentaclethra macrophylla Benth Pod: Adsorption, Thermodynamic, and Kinetic Studies [(Articles in Press)]
-
Poly 4-Aminophenol
Highly Sensitive Voltammetric Determination of Acetaminophen by an Overoxidized Poly (p-aminophenol) Modified Glassy Carbon Electrode [Volume 10, Issue 3, 2023, Pages 140-150]
-
Polyaniline
Investigation of Morphology and Antibacterial Properties of Nylon 6, 6/PANI/ZnO Nanocomposite [Volume 9, Issue 2, 2022, Pages 144-152]
-
Polylactic-co-Glycolic Acid (PLGA)
Quantum Chemical Study of Interaction of PLGA Polymeric Nanoparticles as Drug Delivery with Anti-Cancer Agents of Thiazoline [Volume 6, Issue 1, 2019, Pages 34-42]
-
Polymeric materials
Characterization of polymeric materials and their degradation products [Volume 8, Issue 1, 2021, Pages 1-15]
-
Polyphenol
Synthesis of polyphenolic mesoporous nanocomposite for removal of acid dye from aqueous media: Adsorption studies [Volume 8, Issue 4, 2021, Pages 515-536]
-
Polystyrene
Synthesis and characterization of poly methyl methacrylate-b-polystyrene copolymer/ multi -walled carbon nanotubes via ATRP and NMRP techniques [Volume 10, Issue 2, 2023, Pages 65-83]
-
Polyurethane
Removal of Oil from Water Surfaces via Recyclable NiFe2O4/Polyurethane Sponge [Volume 8, Issue 3, 2021, Pages 240-251]
-
Polyvinyl acetate (PVAc)
FORMULATION OF EMULSION PAINT USING BENIGN HGSO/PVAc COPOLYMER AS A BINDER [Volume 10, Issue 2, 2023, Pages 124-133]
-
Pomegranate Peel
Synthesis and characterization of Copper Nanoparticles Utilizing Pomegranate Peel Extract and Its Antibacterial Activity [Volume 10, Issue 1, 2023, Pages 43-52]
-
Portland cement
Comparative Study of the Physical Properties of Some Brands of Portland Cement Available in the Libyan Market [Volume 7, Issue 3, 2020, Pages 220-231]
-
Potassium chloride
An Empirical Technique for Prediction of Nucleation Mechanism and Interfacial Tension of Potassium Chloride Nanoparticles [Volume 6, Issue 1, 2019, Pages 43-57]
-
Potentiometric
Determination of Thermodynamic Stability of a Ni (II) Glycine Complexes in aqueous solution: Potentiometric and Spectroscopic Studies [Volume 10, Issue 4, 2023, Pages 223-235]
-
Potentiometry
Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Pages 198-214]
-
Preconcentration
Removal of toxic Tl(I) and Tl(III)ions from water sample a magnetite nanoparticle composite modified with aminodibenzo-18-crown-6 functionalized MIL-101(Cr) [Volume 10, Issue 1, 2023, Pages 53-64]
-
Pre-hospital care
Investigating Recycling of Chemicals Used in Pre-Hospital Care Based on Decision Support System [Volume 10, Issue 1, 2023, Pages 1-16]
-
Procarbazine
Adsorption of procarbazine anti-cancer Drug on the Surface of graphene: A DFT Study [Volume 8, Issue 4, 2021, Pages 485-497]
-
Procyclidine
Comparison of Structural Parameters in Antiparkinson's drug: Procyclidine & its Nano Carrier Based on Fullerene with Calculation Chemistry [Volume 3, Issue 1, 2016, Pages 24-30]
-
Prolin
Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study [Volume 2, Issue 3, 2015, Pages 50-54]
-
Promethazine
Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine [Volume 3, Issue 4, 2016, Pages 93-97]
-
Properties
PHYSIO – CHEMICAL PARAMETERS OF SOME LIBYAN SAMPLES [(Articles in Press)]
-
Purification of Chemicals
Investigating Recycling of Chemicals Used in Pre-Hospital Care Based on Decision Support System [Volume 10, Issue 1, 2023, Pages 1-16]
-
PVC
Thermodynamic Study of Derivatives of PVC Monomer with Nanoparticles of Fullerene, Nanotube and Nanocones at Room Temperature, Using DFT Method [Volume 4, Issue 3, 2017, Pages 93-100]
-
Pyrazole Derivatives
Quantum and Statistical Study for Evaluating the Cytotoxicity Ability of Some Pyrazole Derivatives as Potent Anti Hiv-1 Agents Inhibitors [Volume 8, Issue 2, 2021, Pages 131-141]
-
Pyrazole Derivatives
Molecular Docking of Pyrazole Inhibitors Against Integrase Receptor: A Computational Quantum Approach [Volume 9, Issue 3, 2022, Pages 191-200]
-
Pyridine
Adsorption of Pyridine by Using BeO Nanotube: A DFT Study [Volume 1, Issue 2, 2014, Pages 77-86]
-
Pyridine
A computational estimation for alkyl chain effect in Schiff base pyridinium fluoride ionic liquid on chemical reactivity, thermophysical properties, pharmacokinetics, and biological activity by DFT approach [Volume 8, Issue 3, 2021, Pages 252-264]
-
Pyrrole
Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study [Volume 1, Issue 2, 2014, Pages 68-76]
-
Pyrrole
Pyrrole Detection by BeO Nanotube: DFT Studies [Volume 1, Issue 3, 2014, Pages 134-144]
Q
-
Qeera stream water
Assessment of Selected Physico-Chemical Properties and Metals in Qeera Stream Water, Bakkee-Jamaa, Nekemte, Ethiopia [Volume 7, Issue 1, 2020, Pages 47-59]
-
QSAR
The Prediction of Thermo Physical, Vibrational Spectroscopy, Chemical Reactivity, Biological Properties of Morpholinium Borate, Phosphate, Chloride and Bromide Ionic Liquid: A DFT Study [Volume 6, Issue 4, 2019, Pages 236-253]
-
QSAR
A computational estimation for alkyl chain effect in Schiff base pyridinium fluoride ionic liquid on chemical reactivity, thermophysical properties, pharmacokinetics, and biological activity by DFT approach [Volume 8, Issue 3, 2021, Pages 252-264]
-
QSAR
Computational Study and Design of Novel Chemotherapeutic Agents against Hepatocellular Carcinoma [Volume 10, Issue 2, 2023, Pages 84-105]
-
QSAR
QSAR modeling and molecular docking of matrine derivatives as potential anticancer agents [(Articles in Press)]
-
QSCR
Quantum and Statistical Study for Evaluating the Cytotoxicity Ability of Some Pyrazole Derivatives as Potent Anti Hiv-1 Agents Inhibitors [Volume 8, Issue 2, 2021, Pages 131-141]
-
Quality
PHYSIO – CHEMICAL PARAMETERS OF SOME LIBYAN SAMPLES [(Articles in Press)]
-
Quantum Mechanics/Molecular Mechanics
Quantum Chemical Study of Interaction of PLGA Polymeric Nanoparticles as Drug Delivery with Anti-Cancer Agents of Thiazoline [Volume 6, Issue 1, 2019, Pages 34-42]
-
Quantum Theory of atoms in molecule (QTAIM)
Study of the Formation, Energetics, Specific Interaction, Charge Transfer and Nature of Hydrogen Bonds in Dimerization of the 2PY (C5H4X N (O) Derivatives (X= F, Cl, and Br): DFT, AIM and NBO analyses [Volume 8, Issue 3, 2021, Pages 277-297]
-
Quetiapine
Quetiapine Adsorption on the Surface of Boron Nitride Nanocage (B12N12): A Computational Study [Volume 7, Issue 2, 2020, Pages 87-100]
R
-
Radial Distribution Functions
The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Pages 160-165]
-
RDX
Study of the Chemical Properties of RDX High-Energy Element and its Derivatives with Different Nanostructures of Mass by Functional Density Theory [Volume 4, Issue 3, 2017, Pages 78-85]
-
RDX and Explosives
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60) [Volume 5, Issue 1, 2018, Pages 11-17]
-
Reaction
A Comparative Study of the Carbonyl Positioning Mechanism in the Mn (CO) 5 CH2F and Mn (CO) 5CHF2 Complex through Quantum Chemistry [Volume 4, Issue 4, 2017, Pages 125-134]
-
Reaction
Computational Investigation of Carbonyl Positioning Mechanism in Mn (CO) 5CH2F Complex by Functional Density Theory [Volume 4, Issue 4, 2017, Pages 135-143]
-
Recovery
A Simple Method for the Recovery of Selenium from Copper Anode Slime Sample Using Alkaline Roasting Process [Volume 6, Issue 2, 2019, Pages 143-150]
-
Recycling of Chemicals
Investigating Recycling of Chemicals Used in Pre-Hospital Care Based on Decision Support System [Volume 10, Issue 1, 2023, Pages 1-16]
-
Reduction
Removal of methylene blue by mesoporous CuO/SiO2 as catalyst [Volume 7, Issue 3, 2020, Pages 169-183]
-
Reduction
Superparamagnetic core-shell metal-organic framework (Fe3O4@Ni-Co-BTC NPs): an efficient and magnetically retrievable nanostructured catalyst for the reduction of nitro compounds to amines [Volume 9, Issue 1, 2022, Pages 53-76]
-
Regression
Effects of Learning Management System (LMS) and Knowledge Management (KM) [Volume 8, Issue 2, 2021, Pages 181-197]
-
Remediation
Review on synthesis of NZVI as an effective adsorbent for environmental remediation [Volume 10, Issue 2, 2023, Pages 134-139]
-
Removal
Removal of Toxic Cr(VI) Ions from Water Sample a Novel Magnetic Graphene Oxide Nanocomposite [Volume 7, Issue 1, 2020, Pages 30-46]
-
Reservoir
Monitoring of Sand Concentration in Some Oil Wells in the Niger Delta Area of Nigeria [Volume 8, Issue 4, 2021, Pages 413-424]
-
Resonance
Study the efficiency of three organic pigments based on tri-azine with applicability in solar cells in order to achieve clean and renewable solar energy [Volume 10, Issue 4, 2023, Pages 268-287]
-
Response surface methodology
Kanemite: an easily prepared and highly efficient catalyst for biodiesel production optimized by response surface methodology [Volume 7, Issue 3, 2020, Pages 232-246]
-
Response surface methodology
Determination of optimum amounts of effective parameters in reactive dyes removal Using a zeolitic-imidazolate framework catalyst. [Volume 9, Issue 4, 2022, Pages 321-335]
-
Reuse
Photocatalytic degradation of methyl orange dye using bismuth oxide nanoparticles under visible radiation [Volume 8, Issue 3, 2021, Pages 229-239]
-
Rice
Selective Separation and Preconcentration of Trace Amounts of Gallium in Water and Rice Samples Using Cloud Point Extraction and Determination by Inductively Coupled Plasma-Atomic Emission Spectrometry [Volume 5, Issue 3, 2018, Pages 124-139]
-
Risperidone
Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Pages 198-214]
-
RSM model
Experimental Investigation and Modeling of Parameters Affecting Biogas Production Process from Food Waste by Anaerobic Digestion Method [Volume 7, Issue 4, 2020, Pages 256-270]
S
-
Salen
Complex Formation of Bis(salicylidene)ethylenediamine (Salen type ligand) with Cupper(II) Ions in Different Solvents: Spectrophotometric and Conductometric Study [Volume 7, Issue 1, 2020, Pages 1-13]
-
Salmonella
Green Synthesis of Copper Nanoparticles Utilizing Pomegranate leaves Extract and Its Antibacterial Activity [(Articles in Press)]
-
Salophen
Selective Separation and Preconcentration of Trace Amounts of Gallium in Water and Rice Samples Using Cloud Point Extraction and Determination by Inductively Coupled Plasma-Atomic Emission Spectrometry [Volume 5, Issue 3, 2018, Pages 124-139]
-
Sar-cheshmeh
A Simple Method for the Recovery of Selenium from Copper Anode Slime Sample Using Alkaline Roasting Process [Volume 6, Issue 2, 2019, Pages 143-150]
-
SARS-CoV-2/Coronavirus/Coronaviral-2
New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19 [Volume 9, Issue 3, 2022, Pages 225-237]
-
SBA-15
Synthesis of polyphenolic mesoporous nanocomposite for removal of acid dye from aqueous media: Adsorption studies [Volume 8, Issue 4, 2021, Pages 515-536]
-
Scan
Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Pages 27-34]
-
Schiff Base
Complex Formation of Bis(salicylidene)ethylenediamine (Salen type ligand) with Cupper(II) Ions in Different Solvents: Spectrophotometric and Conductometric Study [Volume 7, Issue 1, 2020, Pages 1-13]
-
Selected Metals
Assessment of Selected Physico-Chemical Properties and Metals in Qeera Stream Water, Bakkee-Jamaa, Nekemte, Ethiopia [Volume 7, Issue 1, 2020, Pages 47-59]
-
Selective oxidation
Mild and selective oxidation of sulfur compounds by p-xylylenebis(triphenylphosphonium tribromide) as a green and reusable reagent [Volume 9, Issue 1, 2022, Pages 77-83]
-
Selective removal
Fabrication and characterization of a novel magnetic MIL-101(Cr) nanocomposite for selective selenite removal [Volume 8, Issue 1, 2021, Pages 59-73]
-
Selenate
Fabrication and characterization of a novel magnetic MIL-101(Cr) nanocomposite for selective selenite removal [Volume 8, Issue 1, 2021, Pages 59-73]
-
Selenium
A Simple Method for the Recovery of Selenium from Copper Anode Slime Sample Using Alkaline Roasting Process [Volume 6, Issue 2, 2019, Pages 143-150]
-
Self-cleaning
Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Pages 8-16]
-
SEM
Green Synthesis of Copper Nanoparticles Utilizing Pomegranate leaves Extract and Its Antibacterial Activity [(Articles in Press)]
-
SEM and EDX
Cytotoxic and Anticancer Studies of an Oxygen and Nitrogen Donor Novel Schiff Base Ligand and its Copper (II) Complex [Volume 6, Issue 1, 2019, Pages 1-13]
-
Sensing and Monitoring
Advance Technology in Wastewater Treatment: A Brief Assessment [Volume 9, Issue 2, 2022, Pages 153-164]
-
Separan
The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Pages 151-155]
-
Sieving
Monitoring of Sand Concentration in Some Oil Wells in the Niger Delta Area of Nigeria [Volume 8, Issue 4, 2021, Pages 413-424]
-
Silicic Acid
Chemical and Technical Investigations on Soil Characterization and Silicic Acid Preparation [Volume 9, Issue 4, 2022, Pages 250-261]
-
Silicon
The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Pages 160-165]
-
Silicon
Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study [Volume 2, Issue 3, 2015, Pages 50-54]
-
Silver nano particles
Effective Parameters on Biosynthesis of Silver using the Pelargonium sidoides Root Extract" [Volume 9, Issue 2, 2022, Pages 129-143]
-
Simulation Monte Carlo (MC)
Comparison of Doped Combination Zirconium-tungsten, Zirconium- molybdenum and Molybdenum-tungsten on Single-wall Vanadium Oxide Nanotube in Hydrogen Gas Adsorption [Volume 4, Issue 3, 2017, Pages 61-71]
-
Solar Cell
Study the efficiency of three organic pigments based on tri-azine with applicability in solar cells in order to achieve clean and renewable solar energy [Volume 10, Issue 4, 2023, Pages 268-287]
-
Sol gel
Preperation and Characterization of TiO2 Fe2O3 Nanocomposite by Sol Gel Method [Volume 5, Issue 4, 2018, Pages 181-187]
-
Solid base catalyst
Kanemite: an easily prepared and highly efficient catalyst for biodiesel production optimized by response surface methodology [Volume 7, Issue 3, 2020, Pages 232-246]
-
Solubility
In Vitro Study of Solubility of Carbon Dioxide in Diethyl Ethanolamine in the Presence of Calcium Carbonate Nanoparticles [Volume 7, Issue 4, 2020, Pages 271-282]
-
Solvent
Density Functional Theory Study of the Behavior of Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers for 5-Fluorouracil Anticancer Drug in Water [Volume 4, Issue 3, 2017, Pages 72-77]
-
Solvent
A Review of Frontal Polymerization in the Chemical Industry [Volume 9, Issue 4, 2022, Pages 285-308]
-
Solvent-free
NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones [Volume 1, Issue 3, 2014, Pages 108-114]
-
Spectrophotometric
Determination of Amitriptyline Using Bromate-Bromide and Two Dyes [Volume 1, Issue 1, 2014, Pages 41-50]
-
Spectrophotometric
Spectrophotometric Study of Complex Formations between Alprazolam and Some Transition Metal Ions in Non Aqueous Solution [Volume 7, Issue 2, 2020, Pages 137-149]
-
Spectrophotometry
Separation, Preconcentration and Determination of Hg (II) Ion in Water Samples by Cloud Point Extraction Technique Coupled with UV-Vis Spectrophotometry Using a New Complexing Agent [Volume 6, Issue 3, 2019, Pages 163-177]
-
Spectrophotometry
Complex Formation of Bis(salicylidene)ethylenediamine (Salen type ligand) with Cupper(II) Ions in Different Solvents: Spectrophotometric and Conductometric Study [Volume 7, Issue 1, 2020, Pages 1-13]
-
Stabilization energies E(2)
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules [(Articles in Press)]
-
Storage
Investigation the Kinetics of CO2 Hydrate Formation in the Water System + CTAB + TBAF + ZnO [Volume 7, Issue 3, 2020, Pages 195-219]
-
Stricking cell disease (SCD)
Designing novel molecule (V-NNC) based on Voxelotor (GBT-440) against sickle cell disease (SCD) via binding to carbonmonoxy hemoglobin S [Volume 8, Issue 4, 2021, Pages 498-514]
-
Strong
Investigating the Effect of Nano Technology on Increasing Utilization in Oil Tanks and Wells in Upstream Industries [Volume 6, Issue 4, 2019, Pages 289-298]
-
Sugarcane
The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Pages 151-155]
-
Sugar cane bagasse
Optimization the Adhesive Production from Sugar Cane Bagasse [Volume 7, Issue 4, 2020, Pages 296-302]
-
Sulfide
Mild and selective oxidation of sulfur compounds by p-xylylenebis(triphenylphosphonium tribromide) as a green and reusable reagent [Volume 9, Issue 1, 2022, Pages 77-83]
-
Sulfonation
Synthesis of Liner Alkyl-benzene Sulfonate Nanoparticle Using Green Promoter and High Efficiency [Volume 6, Issue 2, 2019, Pages 76-86]
-
Sulfoxide
Mild and selective oxidation of sulfur compounds by p-xylylenebis(triphenylphosphonium tribromide) as a green and reusable reagent [Volume 9, Issue 1, 2022, Pages 77-83]
-
Sulfur compounds
Modeling of the Hydrodesulfurization process of natural gas condensates [Volume 9, Issue 4, 2022, Pages 309-320]
-
Sumanene
A density functional theory study on nanostructures including sumanene, corannulene and nanosheet as the anodes in Be−ion Batteries [Volume 8, Issue 4, 2021, Pages 425-441]
-
Superparamagnetic core-shell metal-organic framework (Fe3O4@Ni-Co-BTC NPs)
Superparamagnetic core-shell metal-organic framework (Fe3O4@Ni-Co-BTC NPs): an efficient and magnetically retrievable nanostructured catalyst for the reduction of nitro compounds to amines [Volume 9, Issue 1, 2022, Pages 53-76]
-
Surface adsorption
Surface Adsorption of Carbon Monoxide and Hydrogen Gases Mixed with Boron Nitride (7 ,7) Nanotubes by Monte Carlo Method [Volume 4, Issue 4, 2017, Pages 118-124]
-
Sustainability
Optimisation of Bio-Diesel made from Non-Edible Avocado Seed Oil (ASO) Using Homogenous H2SO4/KOH Catalyst [Volume 10, Issue 4, 2023, Pages 242-257]
-
Sustainable energy
Fusion of Power and Storage: Leveraging Nuclear Energy for Hydrogen Production and Advanced Energy Storage [(Articles in Press)]
-
Symmetry Breaking
A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound [Volume 6, Issue 4, 2019, Pages 277-288]
-
Symmetry Breaking
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules [(Articles in Press)]
-
Synthesis
The Synthesis of 2, 6 diamino- 3, 5-dinitropyridine from Direct Nitration Reaction of 2, 6 diamino pyridine in Different Temperature Conditions by Density Functional Theory [Volume 5, Issue 2, 2018, Pages 40-47]
-
Synthesis
The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method [Volume 5, Issue 2, 2018, Pages 48-55]
-
Synthesis
The Synthesis of Imine from the Reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in Different Temperature Conditions by DFT method [Volume 5, Issue 2, 2018, Pages 56-64]
-
Synthesis
Investigation of High-energy Heterocyclic Synthesis as a Green Fuel from the Reaction of 3,6-D-aminotrazine with Nitric acid and Sodium azid; Under Different Temperature Conditions, by DFT Method [Volume 4, Issue 4, 2017, Pages 111-117]
-
Synthesis
The Kinetic Study of Oleamide Synthesis: Effect of Oleic Acid Molar Ratio, Temperature and Catalyst Concentration [Volume 8, Issue 4, 2021, Pages 400-412]
-
Synthesis
Investigation on the photocatalytic activity of TiO2@WO3/ZnO catalyst in the waste water treatment containing alkanolamine contaminants [Volume 9, Issue 4, 2022, Pages 262-284]
-
Synthesis
Review on synthesis of NZVI as an effective adsorbent for environmental remediation [Volume 10, Issue 2, 2023, Pages 134-139]
-
Synthesis
Use of Magnesium Ferrite as Catalyst in Cannizaro Reaction [Volume 10, Issue 3, 2023, Pages 162-171]
T
-
TATB
TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study [Volume 7, Issue 1, 2020, Pages 74-86]
-
TATB
The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB [Volume 7, Issue 3, 2020, Pages 184-194]
-
TDOS
A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach [Volume 7, Issue 3, 2020, Pages 247-255]
-
TD-semiempirical
The role of insertion of Li atom in C60-Porphyrin-Metalloporphyrin, M = (V, Cr, Ni, Cu) as dyes in the DSSC by using the theoretical outlook [Volume 9, Issue 2, 2022, Pages 102-128]
-
Teller effect (PJTE), Natural bond orbital (NBO) analysis
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules [(Articles in Press)]
-
Terminalia chebula
Cytotoxic effects of Anacyclus pyrethrum, Terminalia chebula, and Brassica nigra ethanol extracts on KB cancer cell line [Volume 10, Issue 1, 2023, Pages 35-42]
-
Tetrahydrosulin
Initial Study of the Effect of Substrates on Tetrahydrozoline and its Nano-Constituent Drugs [Volume 3, Issue 2, 2016, Pages 36-40]
-
Tetra hydroxyl borate
The Study of Dissolution Boric Acid in Different Temperatures: A DFT study [Volume 5, Issue 4, 2018, Pages 140-147]
-
Tetryl
Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Pages 215-223]
-
Tetryzoline
Ab Initio Study on Nano Carrier (RS)-2-(1,2,3,4- tetrahydronaphthalen -1-yl)-4,5-dihydro-1H-imidazol Drug about Substituted Effect in Energy Levels, Dipole moment and Structural Parameters [Volume 3, Issue 3, 2016, Pages 79-86]
-
TEX
The Effect of B12N12 Substitution on the Properties of TEX Energetic Materials in Different Temperature Conditions: A DFT Study [Volume 5, Issue 1, 2018, Pages 18-25]
-
TEX
Investigating the Energy Efficiency of TEX High Energy Derivatives with Different Carbon Fuller Nano Structures under Different Temperature Conditions by DFT Method [Volume 3, Issue 4, 2016, Pages 98-104]
-
Thermal conductivity
Graphene Heating Film Preparation and Performance Evaluation [Volume 9, Issue 3, 2022, Pages 238-249]
-
Thermodynamic Inhibitors
A review of Kinetics of Hydrate Formation and the Mechanism of the Effect of the inhibitors on it [Volume 8, Issue 1, 2021, Pages 41-58]
-
Thermodynamic parameters
Investigating the Complexation of a Recently Synthesized Phenothiazine with Different Metals by Density Functional Theory [Volume 4, Issue 4, 2017, Pages 101-110]
-
Thermodynamic parameters
The Effect of B12N12 Substitution on the Properties of TEX Energetic Materials in Different Temperature Conditions: A DFT Study [Volume 5, Issue 1, 2018, Pages 18-25]
-
Thermodynamic parameters
A DFT Investigation on The Reaction of tetrazolo [1,5-b][1,2,4]triazine with 1,5-diaminotetrazole and glyoxal in Different Temperatures [Volume 6, Issue 2, 2019, Pages 133-142]
-
Thermodynamic parameters
The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB [Volume 7, Issue 3, 2020, Pages 184-194]
-
Thermodynamic parameters and Density functional theory
The Energetic, Check of Derived Boron Nitride Nano- cage with (HMX) in Different Conditions of Temperature by Density Functional Theory Method [Volume 5, Issue 1, 2018, Pages 26-32]
-
Thiazoline Derivatives
Quantum Chemical Study of Interaction of PLGA Polymeric Nanoparticles as Drug Delivery with Anti-Cancer Agents of Thiazoline [Volume 6, Issue 1, 2019, Pages 34-42]
-
Thiouracil
Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study [Volume 6, Issue 3, 2019, Pages 178-189]
-
Three exergy
Exergy Analysis for Evaluation of Energy Consumptions in Hydrocarbon Plants [Volume 8, Issue 3, 2021, Pages 329-344]
-
Time-dependent DFT (TD-DFT)
Intrinsic distortion in the analysis of the Jahn-Teller effect: by Transition state theory (TST) and Nitrogen inversion [Volume 8, Issue 4, 2021, Pages 386-399]
-
TiO2
Preperation and Characterization of TiO2 Fe2O3 Nanocomposite by Sol Gel Method [Volume 5, Issue 4, 2018, Pages 181-187]
-
TiO2@WO3/ZnO photocatalyst
Investigation on the photocatalytic activity of TiO2@WO3/ZnO catalyst in the waste water treatment containing alkanolamine contaminants [Volume 9, Issue 4, 2022, Pages 262-284]
-
Titanium dioxide
Highly efficient degradation of MTBE by γ-Al2O3/NiO/TiO2 core- shell nanocomposite under visible light irradiation [Volume 8, Issue 2, 2021, Pages 222-228]
-
Titanium (Ti)
Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Pages 113-123]
-
Tolazoline
Quantum Chemistry Studies on Structures and Electronic Properties of the Tolazoline Drug on Nano Structure of Fullerene [Volume 3, Issue 2, 2016, Pages 47-51]
-
Toluene
Effect of Support Nature on Performance and Kinetics of Nickel Nanoparticles in Toluene Hydrogenation [Volume 6, Issue 1, 2019, Pages 23-33]
-
Total Petroleum Hydrocarbons
Assessment of the Total Petroleum Hydrocarbons and Heavy Metal Concentrations in Soils around Car Washing Stations in Misurata, Libya [Volume 8, Issue 4, 2021, Pages 453-473]
-
Trans-3
Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method [Volume 4, Issue 3, 2017, Pages 86-92]
-
Trans and Vinyl
Characterization and DFT studies of Cis, Trans and Vinyl Derivatives of 1,4-butadiene Using C20 in Different Temperatures [Volume 5, Issue 2, 2018, Pages 76-82]
-
Transesterification
Kanemite: an easily prepared and highly efficient catalyst for biodiesel production optimized by response surface methodology [Volume 7, Issue 3, 2020, Pages 232-246]
-
Transesterification
Optimisation of Bio-Diesel made from Non-Edible Avocado Seed Oil (ASO) Using Homogenous H2SO4/KOH Catalyst [Volume 10, Issue 4, 2023, Pages 242-257]
-
Transition State Theory (TST)
Intrinsic distortion in the analysis of the Jahn-Teller effect: by Transition state theory (TST) and Nitrogen inversion [Volume 8, Issue 4, 2021, Pages 386-399]
-
Treatment
Chemical Investigation of Drilling Flowers, Types of Contaminations and Ways to Treat Them [Volume 6, Issue 1, 2019, Pages 14-22]
-
Triazoloindazole
NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones [Volume 1, Issue 3, 2014, Pages 108-114]
-
Triton X-114
Separation, Preconcentration and Determination of Hg (II) Ion in Water Samples by Cloud Point Extraction Technique Coupled with UV-Vis Spectrophotometry Using a New Complexing Agent [Volume 6, Issue 3, 2019, Pages 163-177]
-
Type 1 Diabetes
2D-QSAR, 3D-QSAR, molecular docking, and molecular dynamics simulations in the probe of novel type I diabetes treatment [Volume 9, Issue 4, 2022, Pages 351-382]
-
Tyrosine ligand
Synthesis, Characterization, and Antibacterial Studies of Metal Complexes with Tyrosine Ligand [(Articles in Press)]
U
-
UHMWPE
In-Situ Polymerization of UHMWPE Using Bi-Supported Ziegler-Natta Catalyst of MoS2 Oxide/MgCl2 (Ethoxide Type)/TiCl4/TiBA: Study of Thermo-Mechanical Properties of System [Volume 6, Issue 2, 2019, Pages 87-108]
-
Ultrasound assisted ion pair based surfactant-enhanced liquid–liquid microextraction
Development of an Ultrasound Assisted Ion Pair Based Surfactant-enhanced Liquid–liquid Microextraction Technique Combined with Spectrophotometry for Preconcentration and Determination of Ultra-Trace Amounts of Sunset Yellow in Food Samples [Volume 9, Issue 4, 2022, Pages 336-350]
-
Uranium
Evaluating Commercial Macroporous Resin (D201) for Uranium Uptake in Static and Dynamic Fixed Bed Ion Exchange Column [Volume 7, Issue 2, 2020, Pages 150-168]
-
Urazole
NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones [Volume 1, Issue 3, 2014, Pages 108-114]
-
Uric acid
Electrochemical determination of Uric acid by persian blue modified electrode with sol gel method [(Articles in Press)]
-
Uridine
DFT Study, Physicochemical, Molecular Docking, and ADMET Predictions of some Modified Uridine Derivatives [Volume 8, Issue 1, 2021, Pages 88-110]
-
UV-VIS
Green Synthesis of Copper Nanoparticles Utilizing Pomegranate leaves Extract and Its Antibacterial Activity [(Articles in Press)]
-
UV-VIS
Using an Agriculture Waster for Eliminating BG from Waste Water [(Articles in Press)]
-
UV-Vis Spectroscopy
Determination of Thermodynamic Stability of a Ni (II) Glycine Complexes in aqueous solution: Potentiometric and Spectroscopic Studies [Volume 10, Issue 4, 2023, Pages 223-235]
V
-
Validation
Quantum and Statistical Study for Evaluating the Cytotoxicity Ability of Some Pyrazole Derivatives as Potent Anti Hiv-1 Agents Inhibitors [Volume 8, Issue 2, 2021, Pages 131-141]
-
Vanadium oxide nanotubes (VONTs)
Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Pages 190-197]
-
Vanadium oxide nanotube (VONT)
Comparison of Doped Combination Zirconium-tungsten, Zirconium- molybdenum and Molybdenum-tungsten on Single-wall Vanadium Oxide Nanotube in Hydrogen Gas Adsorption [Volume 4, Issue 3, 2017, Pages 61-71]
-
Vector network analyzer
Structural, Magnetic and Electromagnetic Absorption Properties of SrFe11.98Mg0.1Sn0.1O19/BaTiO3 Nanocomposites Prepared By Sol- Gel Auto Combustion Method [Volume 8, Issue 4, 2021, Pages 474-484]
-
Verdoheme, Biliverdin
Heme Catabolism by Heme Oxygenase and Model Reaction: What We Have Learned About Reaction Mechanism [(Articles in Press)]
-
Vibrational spectroscopy
The Prediction of Thermo Physical, Vibrational Spectroscopy, Chemical Reactivity, Biological Properties of Morpholinium Borate, Phosphate, Chloride and Bromide Ionic Liquid: A DFT Study [Volume 6, Issue 4, 2019, Pages 236-253]
-
Vibronic coupling
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX2 (X=F, Cl, and Br) molecules [(Articles in Press)]
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Viscosity
Monitoring of Sand Concentration in Some Oil Wells in the Niger Delta Area of Nigeria [Volume 8, Issue 4, 2021, Pages 413-424]
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Visible light
Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Pages 8-16]
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Voltammetry
A Simple Electrochemical Sensor for Rapid Determination of Oxycodone [Volume 10, Issue 4, 2023, Pages 258-267]
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Voxelotor
Designing novel molecule (V-NNC) based on Voxelotor (GBT-440) against sickle cell disease (SCD) via binding to carbonmonoxy hemoglobin S [Volume 8, Issue 4, 2021, Pages 498-514]
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VSM
Synthesis and characterization of biocompatible and magnetic ESW-Fe3O4-Cit nanocomposite by a green one-pot route [(Articles in Press)]
W
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Wastewater
Efficiency of Aptenia Cordifolia Mucilage in Removal of Anion Dyes from Aqueous Solution [Volume 7, Issue 2, 2020, Pages 111-124]
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Wastewater treatment
Biofertilizer Production from Gas Refinery Wastewater [Volume 5, Issue 3, 2018, Pages 83-90]
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Water Cut
Monitoring of Sand Concentration in Some Oil Wells in the Niger Delta Area of Nigeria [Volume 8, Issue 4, 2021, Pages 413-424]
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Water samples
Determination of Selected Pesticide Residues from Gilgel Gibe (I) Hydroelectric Dam Reservoir and Its Tributaries, Jimma Zone, Ethiopia [Volume 7, Issue 1, 2020, Pages 14-29]
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Water treatment
Advance Technology in Wastewater Treatment: A Brief Assessment [Volume 9, Issue 2, 2022, Pages 153-164]
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Water treatment
Role of Nanotechnology and Nanomaterials for Water Treatment and Environmental Remediation [Volume 9, Issue 3, 2022, Pages 165-190]
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Well
Investigation and Possibility of Applying Gas Injection Method to Increase Pressure in Well A in one of the South Iranian Oil Fields [Volume 9, Issue 1, 2022, Pages 1-13]
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Well Cementing
Comprehensive Review on Gas Migration and Preventative Strategies through Well Cementing [Volume 8, Issue 1, 2021, Pages 16-29]
X
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Xanthone derivatives
Molecular docking studies on some derivatives of zanthone as potential anticancer agents [(Articles in Press)]
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XRD
Green Synthesis of Copper Nanoparticles Utilizing Pomegranate leaves Extract and Its Antibacterial Activity [(Articles in Press)]
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Xylometazoline
A Theoretical Study About Substituted Effect in Current Ring and Aromaticity with NICS Index in Nano Carrier Xylometazoline Drug [Volume 3, Issue 1, 2016, Pages 18-23]
Z
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Zeolite
Effect of Support Nature on Performance and Kinetics of Nickel Nanoparticles in Toluene Hydrogenation [Volume 6, Issue 1, 2019, Pages 23-33]
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Zeolitic-imidazolate frameworks
Determination of optimum amounts of effective parameters in reactive dyes removal Using a zeolitic-imidazolate framework catalyst. [Volume 9, Issue 4, 2022, Pages 321-335]
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Ziegler-Natta catalysis
In-Situ Polymerization of UHMWPE Using Bi-Supported Ziegler-Natta Catalyst of MoS2 Oxide/MgCl2 (Ethoxide Type)/TiCl4/TiBA: Study of Thermo-Mechanical Properties of System [Volume 6, Issue 2, 2019, Pages 87-108]
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Zingiberenol/Zingiberol
New Potential Inhibitors of Coronaviral Main Protease (CoV-Mpro): Strychnine Bush, Pineapple, and Ginger could be Natural Enemies of COVID-19 [Volume 9, Issue 3, 2022, Pages 225-237]
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Zirconium (Zr)
Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Pages 190-197]
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ZnFe2O4
Effects of Calcination Temperature on the Synthesis, Chemical Structure, and Magnetic Properties of Nano Crystallites Zinc Ferrite Prepared by Combination of Sol-Gel Auto-Combustion and Ultrasonic Irradiation Techniques [Volume 5, Issue 4, 2018, Pages 172-180]
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ZnO
Investigation of Morphology and Antibacterial Properties of Nylon 6, 6/PANI/ZnO Nanocomposite [Volume 9, Issue 2, 2022, Pages 144-152]
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Zonisamide
Design of Novel Drugs (P3TZ, H2P3TZ, M2P3TZ, H4P3TZ and M4P3TZ) Based on Zonisamide for Autism Treatment by Binding to Potassium Voltage-gated Channel Subfamily D Member 2 (Kv4.2) [Volume 6, Issue 4, 2019, Pages 254-276]