Keyword Index

A

  • Absorption isotherms Experimental Study of Nitrate Absorption Isotherms Determination on Latium Composite Overactive Carbon [Volume 2, Issue 4, 2015, Page 239-246]
  • Activation Energy Reaction between Thiouracil derivatives and Chloroasetic acid in gas and soluble phases:A theoretical study [Volume 6, Issue 3, 2019, Page 178-189]
  • Active carbon Experimental Study of Nitrate Absorption Isotherms Determination on Latium Composite Overactive Carbon [Volume 2, Issue 4, 2015, Page 239-246]
  • Adsorption Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Page 215-223]
  • Afrin Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 3, Issue 3, 2016, Page 118-123]
  • AIM Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Page 199-206]
  • 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, Page 109-132]
  • Aktogen Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy [Volume 3, Issue 4, 2016, Page 145-151]
  • 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, Page 36-47]
  • AlB7C24 A DFT study of the nuclear magnetic properties of fullerenes [Volume 2, Issue 2, 2015, Page 213-222]
  • Al-inserted Study of B12N12 and AlB11N12 fullerene as H2S absorbent and sensor by computational method [Volume 2, Issue 1, 2015, Page 178-172]
  • Alkaline roasting A simple method for the recovery of selenium from copper anode slime sample using alkaline roasting process [Volume 6, Issue 2, 2019, Page 143-150]
  • 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, Page 109-132]
  • Amitriptyline Hydrochloride Determination of Amitriptyline using Bromate-Bromide and two Dyes [Volume 1, Issue 1, 2014, Page 41-50]
  • Aniline Aniline adsorption on the surface of a BN nanotube: A Computational study [Volume 1, Issue 1, 2014, Page 1-9]
  • 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, Page 449-456]
  • 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, Page 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, Page 34-42]
  • 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, Page 13-17]
  • Atenolol Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Page 228-233]
  • 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, Page 409-415]
  • Au(100) electrodes First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire [Volume 1, Issue 1, 2014, Page 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, Page 254-276]

B

  • B12N12 Study of B12N12 and AlB11N12 fullerene as H2S absorbent and sensor by computational method [Volume 2, Issue 1, 2015, Page 178-172]
  • B16N16 A DFT study of the nuclear magnetic properties of fullerenes [Volume 2, Issue 2, 2015, Page 213-222]
  • B3LYP Reaction between Thiouracil derivatives and Chloroasetic acid in gas and soluble phases:A theoretical study [Volume 6, Issue 3, 2019, Page 178-189]
  • B7C24P A DFT study of the nuclear magnetic properties of fullerenes [Volume 2, Issue 2, 2015, Page 213-222]
  • B8C24 A DFT study of the nuclear magnetic properties of fullerenes [Volume 2, Issue 2, 2015, Page 213-222]
  • 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, Page 109-132]
  • Base oil A New Formula for Calculating the Viscosity of Base Oil and Polyisobutene Expensive Polymer for Lubricants [(Articles in Press)]
  • Benzylamine Microwave Assisted Synthesis of N-Benzylenaminones Catalyzed by Chloroacetic acid [Volume 1, Issue 4, 2014, Page 145-151]
  • 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, Page 466-475]
  • Binding energy Investigation of Nickle nanoclusters properties by density functional theory [Volume 5, Issue 4, 2018, Page 600-609]
  • Biochemical Thermodynamic-Biochemical Study of Complexes of Intermediate Elements with α-Amino Acids in Some Proteins with Active Site [Volume 4, Issue 2, 2017, Page 48-52]
  • Biofertilizer Biofertilizer production from gas refinery wastewater [Volume 5, Issue 3, 2018, Page 493-499]
  • Bismuth nitrate Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Page 234-238]
  • 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, Page 60-66]
  • Bond length The study of the effect of changing the substituted on electron 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, Page 88-96]
  • Boron nitride cage The thermodynamic parameters derived material [1,5-b] tetrazolo [1,2,4] Terry inflorescences (TTA) with boron nitride nano- cages in different conditions of temperature , density functional theory method. [Volume 2, Issue 4, 2015, Page 247-254]
  • 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, Page 435-441]
  • 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, Page 500-512]
  • 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, Page 427-434]
  • Boron Nitride Fullerene Study of B12N12 and AlB11N12 fullerene as H2S absorbent and sensor by computational method [Volume 2, Issue 1, 2015, Page 178-172]
  • 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, Page 111-116]
  • 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, Page 126-133]

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, Page 419-426]
  • 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, Page 487-492]
  • 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, Page 419-426]
  • 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, Page 419-426]
  • 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, Page 584-592]
  • Calculating A New Formula for Calculating the Viscosity of Base Oil and Polyisobutene Expensive Polymer for Lubricants [(Articles in Press)]
  • Carbazole deivative Investigation of dibromo and N-bromoacetyl derivatives of [b] carbazole-synthesis and antibacterial evaluation [Volume 6, Issue 2, 2019, Page 66-75]
  • Carbon nanocone Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Page 215-223]
  • Catapres Computational study of structures and electronic properties of the Catapres on nano structure of fullerene with calculations method [Volume 3, Issue 3, 2016, Page 82-87]
  • Catechol Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Page 234-238]
  • Catecholamine Complexation of a Catecholamine with Zinc (II) in Media with Different Dielectric Constants [Volume 1, Issue 3, 2014, Page 126-133]
  • 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, Page 584-592]
  • Chemical hardness and Chemical potential Theoretical study of chemical properties of Fulleromethyldopa and derivatives [Volume 5, Issue 1, 2018, Page 442-448]
  • Chemical potential Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Page 152-160]
  • Chemical potential Computational study of Chemical properties in fullerene Derivatives of Enalapril drug [Volume 2, Issue 1, 2015, Page 198-189]
  • Chemical potential Quantum Mechanic Studies of Natural Bond Orbital & Stabilities of [CuCH2SiMe3]4Complexes With Different Halogens [Volume 3, Issue 1, 2016, Page 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, Page 20-25]
  • Chemical potential Computational Survey on the Effect of Changes in Halogenated Compounds on the structural properties in Chlorpromazine [Volume 3, Issue 1, 2016, Page 34-42]
  • Chemical potential Quantum chemistry studies on reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Aciddrug linked to to C60 [Volume 3, Issue 2, 2016, Page 70-75]
  • Chemical potential Investigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters [Volume 3, Issue 2, 2016, Page 76-81]
  • 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, Page 103-108]
  • Chemical potential Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 3, Issue 3, 2016, Page 118-123]
  • 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, Page 152-157]
  • Chemical potential Computational Computation of the Efferene Structure on the Para phenylene diamine [Volume 4, Issue 2, 2017, Page 67-72]
  • Chloroacetic acid Microwave Assisted Synthesis of N-Benzylenaminones Catalyzed by Chloroacetic acid [Volume 1, Issue 4, 2014, Page 145-151]
  • Chloroacetic acid Reaction between Thiouracil derivatives and Chloroasetic acid in gas and soluble phases:A theoretical study [Volume 6, Issue 3, 2019, Page 178-189]
  • Chlorpromazine Computational Survey on the Effect of Changes in Halogenated Compounds on the structural properties in Chlorpromazine [Volume 3, Issue 1, 2016, Page 34-42]
  • 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, Page 409-418]
  • 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, Page 24-35]
  • 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, Page 487-492]
  • Clarification The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Page 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, Page 513-522]
  • 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, Page 43-48]
  • 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, Page 163-177]
  • Codoped TiO2 Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Page 187-179]
  • Complexation Complexation of a Catecholamine with Zinc (II) in Media with Different Dielectric Constants [Volume 1, Issue 3, 2014, Page 126-133]
  • Complexation Investigating the Complexation of a recently synthesized phenothiazine with Different Metals by Density Functional Theory [Volume 4, Issue 4, 2017, Page 400-408]
  • 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, Page 409-418]
  • 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, Page 60-66]
  • Contamination Chemical investigation of drilling flowers, types of contaminations and ways to treat them [Volume 6, Issue 1, 2019, Page 14-22]
  • 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, Page 143-150]
  • Core / charge Quantum chemistry studies on structures and electronic properties of the Tolazoline drug on nano structure of fullerene [Volume 3, Issue 2, 2016, Page 63-69]
  • Coronene The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Page 161-165]
  • 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, Page 111-116]
  • Cyclic voltammetry The investigation of pyrocatechol electrochemical mechanism in presence of nitrite ion on platinum electrode [Volume 2, Issue 2, 2015, Page 207-212]
  • 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, Page 1-13]

D

  • 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, Page 416-422]
  • Density Functional Theory Calculations Study of B12N12 and AlB11N12 fullerene as H2S absorbent and sensor by computational method [Volume 2, Issue 1, 2015, Page 178-172]
  • Density function theory Computational Investigation of Carbonyl Positioning Mechanism in Mn (CO) 5CH2F Complex by Functional Density Theory [Volume 4, Issue 4, 2017, Page 432-439]
  • DFT Aniline adsorption on the surface of a BN nanotube: A Computational study [Volume 1, Issue 1, 2014, Page 1-9]
  • DFT First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire [Volume 1, Issue 1, 2014, Page 10-21]
  • DFT Adsorption of ethanol by using BN nanotube: a DFT study [Volume 1, Issue 1, 2014, Page 22-29]
  • DFT Pyrrole adsorption on the surface of a BN nanotube: A Computational study [Volume 1, Issue 2, 2014, Page 68-76]
  • DFT ADSORPTION OF PYRIDINE BY USING BeO NANOTUBE: A DFT STUDY [Volume 1, Issue 2, 2014, Page 77-84]
  • DFT Theoretical insight of substituent effect in para substituted Fe(CO)4–pyridine complexes [Volume 1, Issue 2, 2014, Page 85-96]
  • DFT Methyl acetylene detection by BN nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 97-107]
  • DFT Hydroquinone detection by BN nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 115-125]
  • DFT Pyrrole detection by BeO nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 134-144]
  • DFT The effect of Glutamine on conductivity and energetic properties in Graphene: A DFT studies [Volume 1, Issue 4, 2014, Page 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, Page 111-116]
  • DFT Theoretical study of chemical properties of Fulleromethyldopa and derivatives [Volume 5, Issue 1, 2018, Page 442-448]
  • 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, Page 476-486]
  • DFT Investigation of Nickle nanoclusters properties by density functional theory [Volume 5, Issue 4, 2018, Page 600-609]
  • 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, Page 60-66]
  • 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, Page 423-431]
  • DFT Reaction between Thiouracil derivatives and Chloroasetic acid in gas and soluble phases:A theoretical study [Volume 6, Issue 3, 2019, Page 178-189]
  • DFT calculations The Study of Substituent effect on Osmabenzene complexes [Volume 1, Issue 1, 2014, Page 30-40]
  • 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, Page 24-35]
  • 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, Page 117-125]
  • Dipole moment Computational Survey on the Effect of Changes in Halogenated Compounds on the structural properties in Chlorpromazine [Volume 3, Issue 1, 2016, Page 34-42]
  • Dipole moment Initial study of the effect of substrates on Tetrahydrozoline and its nano-constituent drugs [Volume 3, Issue 2, 2016, Page 49-55]
  • Dipole moment The study of the effect of changing the substituted on electron 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, Page 88-96]
  • Dislodge Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Page 199-206]
  • Doped Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Page 523-533]
  • Doped Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Page 190-197]
  • Drilling mud Chemical investigation of drilling flowers, types of contaminations and ways to treat them [Volume 6, Issue 1, 2019, Page 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, Page 254-276]

E

  • Economic Analysis The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Page 151-155]
  • Electronic properties Investigation of Nickle nanoclusters properties by density functional theory [Volume 5, Issue 4, 2018, Page 600-609]
  • Electrophilicity The effect of Glutamine on conductivity and energetic properties in Graphene: A DFT studies [Volume 1, Issue 4, 2014, Page 166-171]
  • Electrophilicity Theoretical study of chemical properties of Fulleromethyldopa and derivatives [Volume 5, Issue 1, 2018, Page 442-448]
  • Enalapril Computational study of Chemical properties in fullerene Derivatives of Enalapril drug [Volume 2, Issue 1, 2015, Page 198-189]
  • 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, Page 476-486]
  • Enthalpy of formation The thermodynamic parameters derived material [1,5-b] tetrazolo [1,2,4] Terry inflorescences (TTA) with boron nitride nano- cages in different conditions of temperature , density functional theory method. [Volume 2, Issue 4, 2015, Page 247-254]
  • 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, Page 1-13]
  • 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, Page 409-415]
  • 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, Page 435-441]
  • 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, Page 449-456]
  • Explosives Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Page 215-223]

F

  • Fe2O3 PREPARATION AND CHARACTERIZATION OF TiO2 Fe2O3 NANOCOMPOSITE BY SOL GEL METHOD [Volume 5, Issue 4, 2018, Page 593-599]
  • 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, Page 224-235]
  • Fe(CO)4–pyridine Theoretical insight of substituent effect in para substituted Fe(CO)4–pyridine complexes [Volume 1, Issue 2, 2014, Page 85-96]
  • Fe–N bond Theoretical insight of substituent effect in para substituted Fe(CO)4–pyridine complexes [Volume 1, Issue 2, 2014, Page 85-96]
  • Fluoxetine Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Page 152-160]
  • 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, Page 500-512]
  • Formazan dyes Theoretical Study of effect ligands on Molecular & Orbital Properties of Cu complexes of industrial dyes formazan [Volume 3, Issue 1, 2016, Page 7-12]
  • Fox-7 Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Page 199-206]
  • Fullerene A DFT study of the nuclear magnetic properties of fullerenes [Volume 2, Issue 2, 2015, Page 213-222]
  • Fullerene Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Page 228-233]
  • 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, Page 419-426]
  • 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, Page 13-19]
  • Fullerene Comparison of structural parameters in antiparkinson's drug: Procyclidine & its nano carrier based on fullerene with calculation chemistry [Volume 3, Issue 1, 2016, Page 26-33]
  • Fullerene Initial study of the effect of substrates on Tetrahydrozoline and its nano-constituent drugs [Volume 3, Issue 2, 2016, Page 49-55]
  • 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, Page 56-62]
  • Fullerene Quantum chemistry studies on structures and electronic properties of the Tolazoline drug on nano structure of fullerene [Volume 3, Issue 2, 2016, Page 63-69]
  • Fullerene Computational study of structures and electronic properties of the Catapres on nano structure of fullerene with calculations method [Volume 3, Issue 3, 2016, Page 82-87]
  • Fullerene The study of the effect of changing the substituted on electron 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, Page 88-96]
  • 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, Page 109-117]
  • 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, Page 124-130]
  • Fullerene Investigating the Effect of Fullerene on the Basicity of Paraphenylenediamine by using the Quantum Chemistry Methods [Volume 6, Issue 3, 2019, Page 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, Page 126-133]
  • Fullerenes Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Page 152-160]
  • Fullerenes Computational study of Chemical properties in fullerene Derivatives of Enalapril drug [Volume 2, Issue 1, 2015, Page 198-189]
  • 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, Page 20-25]
  • Fullerenes Quantum chemistry studies on reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Aciddrug linked to to C60 [Volume 3, Issue 2, 2016, Page 70-75]
  • Fullerenes Investigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters [Volume 3, Issue 2, 2016, Page 76-81]
  • Fullerenes Theoretical study of the properties of adenine amino acid tetomers with C60 [Volume 3, Issue 3, 2016, Page 97-102]
  • Fullerenes Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 3, Issue 3, 2016, Page 118-123]
  • 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, Page 152-157]
  • Fullerenes Computational Computation of the Efferene Structure on the Para phenylene diamine [Volume 4, Issue 2, 2017, Page 67-72]
  • 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, Page 137-144]
  • 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, Page 117-125]
  • 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, Page 126-133]

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, Page 534-549]
  • 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, Page 82-87]
  • 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, Page 476-486]
  • Glutamine The effect of Glutamine on conductivity and energetic properties in Graphene: A DFT studies [Volume 1, Issue 4, 2014, Page 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, Page 36-47]
  • Graphene Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study [Volume 2, Issue 3, 2015, Page 223-227]
  • 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, Page 558-569]
  • 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, Page 513-522]

H

  • Hallucination Aromatization Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine [Volume 3, Issue 4, 2016, Page 131-136]
  • Halogens Quantum Mechanic Studies of Natural Bond Orbital & Stabilities of [CuCH2SiMe3]4Complexes With Different Halogens [Volume 3, Issue 1, 2016, Page 1-6]
  • Hartree-Fock Investigating the Effect of Fullerene on the Basicity of Paraphenylenediamine by using the Quantum Chemistry Methods [Volume 6, Issue 3, 2019, Page 156-162]
  • 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, Page 13-19]
  • 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, Page 476-486]
  • 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, Page 24-35]
  • 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, Page 60-66]
  • 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, Page 137-144]
  • High energy energy derivatives Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy [Volume 3, Issue 4, 2016, Page 145-151]
  • 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, Page 117-125]
  • 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, Page 435-441]
  • HMX Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy [Volume 3, Issue 4, 2016, Page 145-151]
  • 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, Page 236-253]
  • HOMO/LUMO The effect of Glutamine on conductivity and energetic properties in Graphene: A DFT studies [Volume 1, Issue 4, 2014, Page 166-171]
  • HOMO-LUMO gap Investigation of Nickle nanoclusters properties by density functional theory [Volume 5, Issue 4, 2018, Page 600-609]
  • Hydrogen The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Page 161-165]
  • Hydrogenation Effect of support nature on performance and kinetics of nickel nanoparticles in toluene hydrogenation [Volume 6, Issue 1, 2019, Page 23-33]
  • 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, Page 476-486]
  • Hydrogen Sulfide Study of B12N12 and AlB11N12 fullerene as H2S absorbent and sensor by computational method [Volume 2, Issue 1, 2015, Page 178-172]
  • Hydroquinone Hydroquinone detection by BN nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 115-125]
  • Hydrothermal Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Page 523-533]
  • Hydrothermal Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Page 190-197]

I

  • 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, Page 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, Page 466-475]
  • Induction time An empirical technique for prediction of nucleation mechanism and interfacial tension of potassium chloride nanoparticles [Volume 6, Issue 1, 2019, Page 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, Page 534-549]
  • Interfacial tension An empirical technique for prediction of nucleation mechanism and interfacial tension of potassium chloride nanoparticles [Volume 6, Issue 1, 2019, Page 43-57]
  • 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, Page 409-418]
  • Ion selective electrode Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Page 198-214]
  • IR Theoretical study of the properties of adenine amino acid tetomers with C60 [Volume 3, Issue 3, 2016, Page 97-102]

K

  • 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, Page 534-549]
  • Keywords: Vanadium Oxide Nanotubes (VONTs) Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Page 523-533]

L

  • Latium Experimental Study of Nitrate Absorption Isotherms Determination on Latium Composite Overactive Carbon [Volume 2, Issue 4, 2015, Page 239-246]
  • Level HF / 6-31G Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine [Volume 3, Issue 4, 2016, Page 131-136]
  • Li2TiO3 Hydrothermal synthesis of monoclinic - cubic Li2TiO3 hybrid nanocomposite microspheres [Volume 6, Issue 1, 2019, Page 58-65]
  • 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, Page 43-48]
  • 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, Page 103-108]
  • 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, Page 236-253]
  • LUMO and HOMO Initial study of the effect of substrates on Tetrahydrozoline and its nano-constituent drugs [Volume 3, Issue 2, 2016, Page 49-55]

M

  • Magnesium Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Page 198-214]
  • 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, Page 584-592]
  • Main phase Chemical investigation of drilling flowers, types of contaminations and ways to treat them [Volume 6, Issue 1, 2019, Page 14-22]
  • MDF Industries The Assessment of Perceived Risk of Chemical-related Illness Among Inhabitant Community Adjacent to an Industrial Unit [Volume 6, Issue 4, 2019, Page 224-235]
  • Mechanism Effect of support nature on performance and kinetics of nickel nanoparticles in toluene hydrogenation [Volume 6, Issue 1, 2019, Page 23-33]
  • 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, Page 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, Page 7-12]
  • Methanotrophic bacteria Biofertilizer production from gas refinery wastewater [Volume 5, Issue 3, 2018, Page 493-499]
  • Methylacetylene Methyl acetylene detection by BN nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 97-107]
  • Methyl orange Determination of Amitriptyline using Bromate-Bromide and two Dyes [Volume 1, Issue 1, 2014, Page 41-50]
  • Microwave Synthesis Microwave Assisted Synthesis of N-Benzylenaminones Catalyzed by Chloroacetic acid [Volume 1, Issue 4, 2014, Page 145-151]
  • Mixed solvent Complexation of a Catecholamine with Zinc (II) in Media with Different Dielectric Constants [Volume 1, Issue 3, 2014, Page 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, Page 423-431]
  • Mn (CO) 5CH2F Computational Investigation of Carbonyl Positioning Mechanism in Mn (CO) 5CH2F Complex by Functional Density Theory [Volume 4, Issue 4, 2017, Page 432-439]
  • 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, Page 423-431]
  • Modelling Effect of support nature on performance and kinetics of nickel nanoparticles in toluene hydrogenation [Volume 6, Issue 1, 2019, Page 23-33]
  • 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, Page 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, Page 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, Page 48-52]
  • 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, Page 126-133]
  • Monte Carlo The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Page 161-165]
  • 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, Page 416-422]
  • Montmorillonite Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Page 234-238]
  • 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, Page 87-108]

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, Page 56-62]
  • Nano Investigating the Effect of Nano Technology on Increasing Utilization in Oil Tanks and Wells in Upstream Industries [(Articles in Press)]
  • 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, Page 111-116]
  • 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, Page 13-19]
  • 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, Page 26-33]
  • 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, Page 56-62]
  • 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, Page 109-117]
  • Nanocomposite PREPARATION AND CHARACTERIZATION OF TiO2 Fe2O3 NANOCOMPOSITE BY SOL GEL METHOD [Volume 5, Issue 4, 2018, Page 593-599]
  • 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, Page 584-592]
  • 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, Page 87-108]
  • Nano drug carriers Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study [Volume 1, Issue 4, 2014, Page 152-160]
  • Nano drug carriers Computational study of Chemical properties in fullerene Derivatives of Enalapril drug [Volume 2, Issue 1, 2015, Page 198-189]
  • 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, Page 20-25]
  • Nano drug carriers Quantum chemistry studies on reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Aciddrug linked to to C60 [Volume 3, Issue 2, 2016, Page 70-75]
  • Nano drug carriers Investigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters [Volume 3, Issue 2, 2016, Page 76-81]
  • 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, Page 103-108]
  • Nano drug carriers Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene [Volume 3, Issue 3, 2016, Page 118-123]
  • 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, Page 152-157]
  • 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, Page 513-522]
  • 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, Page 126-133]
  • Nanotube Aniline adsorption on the surface of a BN nanotube: A Computational study [Volume 1, Issue 1, 2014, Page 1-9]
  • Nanotube Adsorption of ethanol by using BN nanotube: a DFT study [Volume 1, Issue 1, 2014, Page 22-29]
  • Nanotube Pyrrole adsorption on the surface of a BN nanotube: A Computational study [Volume 1, Issue 2, 2014, Page 68-76]
  • Nanotube ADSORPTION OF PYRIDINE BY USING BeO NANOTUBE: A DFT STUDY [Volume 1, Issue 2, 2014, Page 77-84]
  • Nanotube Methyl acetylene detection by BN nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 97-107]
  • Nanotube Hydroquinone detection by BN nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 115-125]
  • Nanotube Pyrrole detection by BeO nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 134-144]
  • NBO Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Page 228-233]
  • 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, Page 109-132]
  • NBO Theoretical study of the properties of adenine amino acid tetomers with C60 [Volume 3, Issue 3, 2016, Page 97-102]
  • NBO Investigating the Effect of Fullerene on the Basicity of Paraphenylenediamine by using the Quantum Chemistry Methods [Volume 6, Issue 3, 2019, Page 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, Page 36-47]
  • N-bromosuccinimide Investigation of dibromo and N-bromoacetyl derivatives of [b] carbazole-synthesis and antibacterial evaluation [Volume 6, Issue 2, 2019, Page 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, Page 1-6]
  • 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, Page 7-12]
  • Ni nanocluster Investigation of Nickle nanoclusters properties by density functional theory [Volume 5, Issue 4, 2018, Page 600-609]
  • 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, Page 109-132]
  • Nitration Nitration Ortho Dihydroxyl Benzene (Catechol) Using Bismuth Nitrate on the Solid Phase Montmorillonite [Volume 2, Issue 3, 2015, Page 234-238]
  • NMR Investigation of Chemical Properties in Fullerene Derivatives of Atenolol Drug: A DFT Study [Volume 2, Issue 3, 2015, Page 228-233]
  • NMR Theoretical study of the properties of adenine amino acid tetomers with C60 [Volume 3, Issue 3, 2016, Page 97-102]
  • Nucleation mechanism An empirical technique for prediction of nucleation mechanism and interfacial tension of potassium chloride nanoparticles [Volume 6, Issue 1, 2019, Page 43-57]

O

  • 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, Page 82-87]
  • Osmabenzene The Study of Substituent effect on Osmabenzene complexes [Volume 1, Issue 1, 2014, Page 30-40]
  • 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, Page 13-19]

P

  • Paraffenylenediamine Computational Computation of the Efferene Structure on the Para phenylene diamine [Volume 4, Issue 2, 2017, Page 67-72]
  • Parkinson Comparison of structural parameters in antiparkinson's drug: Procyclidine & its nano carrier based on fullerene with calculation chemistry [Volume 3, Issue 1, 2016, Page 26-33]
  • 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, Page 124-130]
  • 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, Page 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, Page 224-235]
  • 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, Page 152-157]
  • Photocatalytic application Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Page 187-179]
  • 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, Page 513-522]
  • Polyisobutene A New Formula for Calculating the Viscosity of Base Oil and Polyisobutene Expensive Polymer for Lubricants [(Articles in Press)]
  • 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, Page 34-42]
  • Potassium chloride An empirical technique for prediction of nucleation mechanism and interfacial tension of potassium chloride nanoparticles [Volume 6, Issue 1, 2019, Page 43-57]
  • Potentiometry Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Page 198-214]
  • Procyclidine Comparison of structural parameters in antiparkinson's drug: Procyclidine & its nano carrier based on fullerene with calculation chemistry [Volume 3, Issue 1, 2016, Page 26-33]
  • Prolin Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study [Volume 2, Issue 3, 2015, Page 223-227]
  • Promethazine Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine [Volume 3, Issue 4, 2016, Page 131-136]
  • PVC Thermodynamic study of derivatives of PVC monomer with nanoparticles of fullerene, nanotube and nano cones at room temperature, using DFT method [Volume 4, Issue 3, 2017, Page 134-141]
  • Pyridine ADSORPTION OF PYRIDINE BY USING BeO NANOTUBE: A DFT STUDY [Volume 1, Issue 2, 2014, Page 77-84]
  • Pyrrole Pyrrole adsorption on the surface of a BN nanotube: A Computational study [Volume 1, Issue 2, 2014, Page 68-76]
  • Pyrrole Pyrrole detection by BeO nanotube: DFT studies [Volume 1, Issue 3, 2014, Page 134-144]

Q

  • 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, Page 236-253]
  • 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, Page 34-42]

R

  • Radial Distribution Functions The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Page 161-165]
  • 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, Page 117-125]
  • 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, Page 419-426]
  • 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, Page 423-431]
  • Reaction Computational Investigation of Carbonyl Positioning Mechanism in Mn (CO) 5CH2F Complex by Functional Density Theory [Volume 4, Issue 4, 2017, Page 432-439]
  • Recovery A simple method for the recovery of selenium from copper anode slime sample using alkaline roasting process [Volume 6, Issue 2, 2019, Page 143-150]
  • 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, Page 534-549]
  • Risperidone Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore [Volume 6, Issue 3, 2019, Page 198-214]

S

  • 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, Page 534-549]
  • Sar-cheshmeh A simple method for the recovery of selenium from copper anode slime sample using alkaline roasting process [Volume 6, Issue 2, 2019, Page 143-150]
  • Scan Study of Nitro Factor Dislodgement in Fox-7 [Volume 2, Issue 2, 2015, Page 199-206]
  • Selenium A simple method for the recovery of selenium from copper anode slime sample using alkaline roasting process [Volume 6, Issue 2, 2019, Page 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, Page 187-179]
  • 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, Page 1-13]
  • Separan The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Page 151-155]
  • Silicon The Effect of Si Substitution on Distribution of H2 on Coronene [Volume 1, Issue 4, 2014, Page 161-165]
  • Silلیسیم Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study [Volume 2, Issue 3, 2015, Page 223-227]
  • 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, Page 100-110]
  • Sol gel PREPARATION AND CHARACTERIZATION OF TiO2 Fe2O3 NANOCOMPOSITE BY SOL GEL METHOD [Volume 5, Issue 4, 2018, Page 593-599]
  • 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, Page 111-116]
  • Solvent-free NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones [Volume 1, Issue 3, 2014, Page 108-114]
  • Spectrophotometric Determination of Amitriptyline using Bromate-Bromide and two Dyes [Volume 1, Issue 1, 2014, Page 41-50]
  • 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, Page 163-177]
  • Strong Investigating the Effect of Nano Technology on Increasing Utilization in Oil Tanks and Wells in Upstream Industries [(Articles in Press)]
  • Sugarcane The Lime and Flocculant Dose Optimization in the Clarification Process of a Sugar Factory [Volume 6, Issue 3, 2019, Page 151-155]
  • Sulfonation Synthesis of Liner Alkyl-benzene Sulfonate Nanoparticle Using Green Promoter and High Efficiency [Volume 6, Issue 2, 2019, Page 76-86]
  • 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, Page 416-422]
  • Symmetry Breaking A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound [Volume 6, Issue 4, 2019, Page 277-288]
  • 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, Page 449-456]
  • 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, Page 457-465]
  • 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, Page 466-475]
  • 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, Page 409-415]

T

  • Tetrahydrosulin Initial study of the effect of substrates on Tetrahydrozoline and its nano-constituent drugs [Volume 3, Issue 2, 2016, Page 49-55]
  • Tetra hydroxyl borate The Study of Dissolution Boric Acid in Different Temperatures: A DFT study [Volume 5, Issue 4, 2018, Page 550-557]
  • Tetryl Adsorption of Tetryl on the Surface of Carbon Nanocone: A Theoretical Investigation [Volume 6, Issue 4, 2019, Page 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, Page 109-117]
  • 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, Page 427-434]
  • 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, Page 137-144]
  • Thermodynamic parameters Investigating the Complexation of a recently synthesized phenothiazine with Different Metals by Density Functional Theory [Volume 4, Issue 4, 2017, Page 400-408]
  • 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, Page 427-434]
  • 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, Page 133-142]
  • 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, Page 435-441]
  • 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, Page 34-42]
  • Thiouracil Reaction between Thiouracil derivatives and Chloroasetic acid in gas and soluble phases:A theoretical study [Volume 6, Issue 3, 2019, Page 178-189]
  • TiO2 PREPARATION AND CHARACTERIZATION OF TiO2 Fe2O3 NANOCOMPOSITE BY SOL GEL METHOD [Volume 5, Issue 4, 2018, Page 593-599]
  • Titanium (Ti) Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes [Volume 5, Issue 3, 2018, Page 523-533]
  • Tolazoline Quantum chemistry studies on structures and electronic properties of the Tolazoline drug on nano structure of fullerene [Volume 3, Issue 2, 2016, Page 63-69]
  • Toluene Effect of support nature on performance and kinetics of nickel nanoparticles in toluene hydrogenation [Volume 6, Issue 1, 2019, Page 23-33]
  • 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, Page 126-133]
  • 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, Page 487-492]
  • Treatment Chemical investigation of drilling flowers, types of contaminations and ways to treat them [Volume 6, Issue 1, 2019, Page 14-22]
  • Triazoloindazole NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones [Volume 1, Issue 3, 2014, Page 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, Page 163-177]

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, Page 87-108]
  • Urazole NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones [Volume 1, Issue 3, 2014, Page 108-114]

V

  • Vanadium oxide nanotubes (VONTs) Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Page 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, Page 100-110]
  • 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, Page 236-253]
  • Viscosity A New Formula for Calculating the Viscosity of Base Oil and Polyisobutene Expensive Polymer for Lubricants [(Articles in Press)]
  • Visible light Synthesis, Characterization, and Application of Zr,Ce-TiO2/SiO2 Nanocomposite Thin Film as Visible-light Active Photocatalyst [Volume 2, Issue 1, 2015, Page 187-179]

W

  • Wastewater treatment Biofertilizer production from gas refinery wastewater [Volume 5, Issue 3, 2018, Page 493-499]

X

  • 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, Page 20-25]

Z

  • Zeolite Effect of support nature on performance and kinetics of nickel nanoparticles in toluene hydrogenation [Volume 6, Issue 1, 2019, Page 23-33]
  • 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, Page 87-108]
  • Zirconium (Zr) Study of Saturation and Supersaturation of Zr-Doped Vanadium Oxide Nanotubes [Volume 6, Issue 3, 2019, Page 190-197]
  • 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, Page 584-592]
  • 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, Page 254-276]