Volume 10 (2023)
Volume 9 (2022)
Volume 8 (2021)
Volume 7 (2020)
Volume 6 (2019)
Volume 5 (2018)
Volume 4 (2017)
Volume 3 (2016)
Volume 2 (2015)
Volume 1 (2014)
Drug Properties, Chemical Reactivity and Docking Binding Energy of Cinnamon with Estrogen, Testosterone, Progesterone as Potential Drug: Theoretical Investigation
Volume 10, Issue 1, January 2023, Pages 71-80
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 1, February 2022, Pages 102-128
DFT Study, Physicochemical, Molecular Docking, and ADMET Predictions of some Modified Uridine Derivatives
Volume 8, Issue 1, January 2021, Pages 88-110
TATB Interaction with Carbon Nanocone and Nanocone Sheet: A Comprehensive Computational Study
Volume 7, Issue 1, January 2020, Pages 74-86
Reaction Between Thiouracil Derivatives and Chloroasetic Acid in Gas and Soluble Phases:A Theoretical Study
Volume 6, Issue 3, September 2019, Pages 178-189
Investigation of Nickle Nanoclusters Properties by Density Functional Theory
Volume 5, Issue 4, December 2018, Pages 188-196
Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods
Volume 5, Issue 2, April 2018, Pages 65-75
Theoretical Study of Chemical Properties of Fulleromethyldopa and Derivatives
Volume 5, Issue 1, January 2018, Pages 33-39
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, December 2017, Pages 125-134
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, September 2017, Pages 72-77
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, April 2017, Pages 50-55
The Effect of Glutamine on Conductivity and Energetic Properties in Graphene: A DFT Studies
Volume 1, Issue 4, December 2014, Pages 166-171
Methyl Acetylene Detection by BN Nanotube: DFT Studies
Volume 1, Issue 3, September 2014, Pages 99-107
Hydroquinone Detection by BN Nanotube: DFT Studies
Volume 1, Issue 3, September 2014, Pages 115-125
Pyrrole Detection by BeO Nanotube: DFT Studies
Volume 1, Issue 3, September 2014, Pages 134-144
Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study
Volume 1, Issue 2, April 2014, Pages 51-59
Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study
Volume 1, Issue 2, April 2014, Pages 68-76
Adsorption of Pyridine by Using BeO Nanotube: A DFT Study
Volume 1, Issue 2, April 2014, Pages 77-86
Theoretical Insight of Substituent Effect in Para Substituted Fe(CO)4–pyridine Complexes
Volume 1, Issue 2, April 2014, Pages 87-98
Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study
Volume 1, Issue 1, January 2014, Pages 1-9
First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire
Volume 1, Issue 1, January 2014, Pages 10-21
Adsorption of Ethanol by Using BN Nanotube: A DFT Study
Volume 1, Issue 1, January 2014, Pages 22-29