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Open Access Article
1 - 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
2 - 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
3 - 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
4 - 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 -
Open Access Article
5 - Investigation of C-O tautomerism in a derivative of Flucytosine: A DFT study
بهزاد چهکندی *Issue 22 , Vol. 7 , Winter 2017 -
Open Access Article
6 - 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
7 - Calculation of optical properties of Na2S in different phases
Hamdollah salehi * ، Emel AbdoullahiIssue 41 , Vol. 13 , Autumn 2023 -
Open Access Article
8 - Dispersive solid-phase extraction for preconcentration of colored effluent in aqueous samples using magnetic carbon nanotubes modified with chitosan
ali moghimi * ، Milad AbnikiIssue 32 , Vol. 9 , Autumn 2020 -
Open Access Article
9 - Synthesis of a new and recyclable Ce2Sn2O7 metal nanocatalyst for the three-component and efficient reaction (biginlli) of the 3,4-dihydropyrimidine (2H)one model
Fatemeh Amarloo ، Rahelej Zhiani * ، Alireza Motavalizadehkakhky ، Malihesadat HosseinyIssue 40 , Vol. 12 , Summer 2023 -
Open Access Article
10 - 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
