| Computational modeling of the catalytic cycle of glutathione peroxidase nanomimic R Kheirabadi, M Izadyar The Journal of Physical Chemistry A 120 (51), 10108-10115, 2016 | 14 | 2016 |
| Computational kinetic modeling of the catalytic cycle of glutathione peroxidase nanomimic: effect of nucleophilicity of thiols on the catalytic activity R Kheirabadi, M Izadyar, MR Housaindokht The Journal of Physical Chemistry A 122 (1), 364-374, 2018 | 11 | 2018 |
| Computational modeling of the kinetics and mechanism of tellurium‐based glutathione peroxidase mimic R Kheirabadi, M Izadyar International Journal of Quantum Chemistry 120 (12), e26201, 2020 | 10 | 2020 |
| A theoretical study on the structure-radical scavenging activity of some hydroxyphenols M Izadyar, R Kheirabadi Physical Chemistry Research 4 (1), 73-82, 2016 | 9 | 2016 |
| Computational kinetic modeling of the selenol catalytic activity as the glutathione peroxidase nanomimic R Kheirabadi, M Izadyar, MR Housiandokht Journal of Theoretical Biology 409, 108-114, 2016 | 8 | 2016 |
| Computational modeling in enhanced CO2 and C2H2 capture on chalcogen atom (Se, Te)-decorated graphene: structural and mechanistic aspects R Kheirabadi, M Vakili Journal of the Iranian Chemical Society 19 (2), 447-461, 2022 | 6 | 2022 |
| Antioxidant activity of selenenamide-based mimic as a function of the aromatic thiols nucleophilicity, a DFT-SAPE model R Kheirabadi, M Izadyar Computational biology and chemistry 75, 213-221, 2018 | 5 | 2018 |
| Computational studies of chalcogen doped on graphene vs. chalcogen doped on CNT and their role in the catalytic performance of electrochemical CO2 reduction M Vakili, R Kheirabadi, M Akbari, R Morad, M Maaza Materials Today Communications 35, 105631, 2023 | 3 | 2023 |
| Insight into the computational modeling and reaction mechanism of the catalytic cycle of benzyl-dichalcogenide compounds in capture and release of carbon dioxide M Vakili, R Kheirabadi Molecular Catalysis 517, 112045, 2022 | 2 | 2022 |
| Computational modeling of the kinetics and mechanism of the new generation of glutathione peroxidase nanomimic: selenosubtilisin and tellurosubtilisin R Kheirabadi, M Izadyar Journal of the Iranian Chemical Society 17 (8), 2119-2131, 2020 | 2 | 2020 |
| Computational modeling of the catalytic cycle of the di-chalcogenide compounds in the capture and release of carbon dioxide: effect of temperature and substitution on the … R Kheirabadi, M Vakili, R Morad, M Maaza Journal of the Iranian Chemical Society 19 (9), 3963-3979, 2022 | | 2022 |
| DFT studies on the Structure and metal-ligand bond strength in bis (trifluoroacetylacetonato) copper (II M Hakimitabar, R Kheirabadi, M Vakili اولین کنفرانس ملی شیمی کاربردی و نانوشیمی, 2018 | | 2018 |
| COMPUTATIONAL STUDY OF THE SOLVENTS EFFECTS ON THE HYDROGEN PEROXIDE SCAVENGING THE IN PRESENCE OF R Kheirabadi, M Izadyar 19th Iranian Physical Chemistry Conference, 2016 | | 2016 |
| THERMODYNAMIC AND KINETIC STUDY OF HYDROGEN PEROXIDE SCAVENGING IN THE PRESENCE OF VITAMIN C AS AN ANTIOXIDANT IN DIFFERENT TEMPERATURES R Kheirabadi, M Izadyar 19th Iranian Physical Chemistry Conference, 2016 | | 2016 |
| COMPUTATIONAL STUDY OF THE SOLVENTS EFFECTS ON THE HYDROGEN PEROXIDE SCAVENGING THE IN PRESENCE OF ASCORBIC ACID R KHEIRABADI, M IZADYAR | | 2016 |
| A Theoretical Study on the Structure–Radical Scavenging Activity of 2-Amino Phenol and 3-Amino Phenol R Kheirabadi, M Izadyar 17th Iranian Physical Chemistry Conference, 2014 | | 2014 |
| NBO and Spin Density Analysis of o-Phenylenediamine and p-Phenylenediamine as Radical Scavengers R Kheirabadi, M Izadyar 17th Iranian Physical Chemistry Conference, 2014 | | 2014 |
| STUDY OF FACTORS INFLUENCING IRAN R KHEIRABADI, M IZADYAR EQTESAD-E KESHAVARZI VA TOWSE'E 10 (339), 71-84, 2002 | | 2002 |
| Solvent Effects on the Reduction of Hydrogen Peroxide in the presence of Glutathione Peroxidase Mimic, Molecular Approach M Tashakori, M Izadyar, R Kheirabadi | | |
| Computational Modeling of Glutathione Peroxidase Mimic in Hydrogen Peroxide Reduction at Various Temperatures. M Tashakori, M Izadyar, R Kheirabadi ناجنز هاگشناد, 1, 0 | | |
