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Open Access Article
1 - Investigation of the IntraMolecular Hydrogen Bonding in Halo, Methoxy, and Cyano-Malonealdehyde Derivatives
Hadi Zare yousefkhani mohammad vakili vahidreza darugarIssue 31 , Vol. 9 , Winter 2019 -
Open Access Article
2 - Tautomerization and Intramolecular Hydrogen bond Strength of para Chlorine-Benzoylacetone by Quantum Computation and Spectrometry Results
Vahidreza Darugar Mohammad Vakili Hosein EshghiIssue 22 , Vol. 7 , Winter 2017 -
Open Access Article
3 - Investigating the adsorption and antioxidant properties of Gallic acid on surface the B12N12 fullerene using quantum mechanical DFT and Molecular Docking
Mohammad Taghi Baei khadijeh tavakoli hafshejaniIssue 39 , Vol. 12 , Autumn 2023 -
Open Access Article
4 - Investigation of Jahn-Teller Effect in Distortion of OX2 (X=Cl. Br. I) Molecular System
Reza Fazaeli Ali Esmaeili esmat MohammadinasabIssue 30 , Vol. 9 , Winter 2019 -
Open Access Article
5 - QSAR Study of New Biphenylic Derivatives as CB2 Receptor Ligands by Quantum Chemical Descriptors
Nosrat Madadi Mahani Alireza Mohadesi zarandi Najmeh MohammadiIssue 22 , Vol. 7 , Winter 2017 -
Open Access Article
6 - Intramolecular Hydrogen Bonding of (E)-N'-(n-Fluoro-2-hydroxybenzylidene) Nicotinohydrazide: A DFT study
Zainab Moosavi-TekyehIssue 23 , Vol. 7 , Autumn 2018 -
Open Access Article
7 - Application of multivariate linear regression and artificial neural networks to predict the antimicrobial activity of some anilide derivatives by quantitative structure-activity relationship (QSAR) method
mehdi nekoei Parastoo pourali Syed Hamed MppsaviIssue 35 , Vol. 11 , Winter 2021 -
Open Access Article
8 - Camputational methods and quantitative structure–property relationship study for prediction of melting point of carbocyclic nitroaromatic compounds using chemical and quantum mechanics descriptors: combining DFT and QSPR calculations
mehdi nekoei mehdi mahamIssue 19 , Vol. 6 , Summer 2017 -
Open Access Article
9 - The application of multiple linear regression and artificial neural networks to study the quantitative structure-activity relationship of a group of chemokine derivatives
mehdi nekoei محمدرضا کیانسب مجید محمدحسینی بهنام مهدوی تهمینه باهریIssue 40 , Vol. 12 , Summer 2023 -
Open Access Article
10 - Theoretical Study on the Kinetics and Thermodynamics of the Tandem Cope-Type Hydroamination and [2,3]- Meisenheimer Rearrangement Sequence
Mitra Sanie Ehsan Zahedi Seyed Hosein Ghorbani Ahmad SeifIssue 38 , Vol. 12 , Winter 2022
