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مرتضی مستوفی محمود ابراهیمی صفرعلی بیرم آبادیIssue 45 , Vol. 14 , Spring 2024 -
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مهدی نکویی سپهر محمدپور اسلام پوربشیرIssue 45 , Vol. 14 , Spring 2024 -
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محمدباقر پاشازانوسیIssue 45 , Vol. 14 , Spring 2024
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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 -
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2 - Structural study of a new copper complex using experimental method and quantum calculations and its application in the synthesis of pyranopyrimidines as catalyst
sadegh allameh Raheleh Omidinia S. Ali Beyramabadi Ali Morsali Mehdi pordelIssue 37 , Vol. 11 , Winter 2022 -
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3 - 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 -
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4 - 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 -
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5 - 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 -
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6 - 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 -
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7 - 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 -
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8 - 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 -
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9 - 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
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
