| DFT calculation of the interplay effects between cation–π and intramolecular hydrogen bond interactions of mesalazine drug with selected transition metal ions (Mn+, Fe2+, Co+ … M Mohammadi, F Alirezapour, A Khanmohammadi Theoretical Chemistry Accounts 140 (8), 104, 2021 | 24 | 2021 |
| A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects F Alirezapour, K Bamdad, A Khanmohammadi, N Ebrahimi Journal of Molecular Modeling 28 (10), 302, 2022 | 19 | 2022 |
| The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study F Alirezapour, A Khanmohammadi Acta Crystallographica Section C: Structural Chemistry 76 (10), 982-991, 2020 | 19 | 2020 |
| Exploration of the mutual effects between cation–π and intramolecular hydrogen bond interactions in the different complexes of mesalazine with metal cations of alkali and … F Alirezapour, M Mohammadi, A Khanmohammadi Chemical Review and Letters 6, 262-275, 2023 | 16 | 2023 |
| Computational study of noncovalent interactions within the various complexes of para aminosalicylic acid and Cr2+, Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+ cations … F Alirezapour, A Khanmohammadi Theoretical Chemistry Accounts 139 (12), 180, 2020 | 16 | 2020 |
| AIM and NBO analyses of N–N rotational barrier in monocyclic nitrosamine compounds H Roohi, A Ebrahimi, F Alirezapoor, M Hajealirezahi Chemical physics letters 409 (4-6), 212-218, 2005 | 16 | 2005 |
| Volumetric properties of high temperature, high pressure supercritical fluids from improved van der Waals equation of state A Razavizadeh, F Alirezapoor Iranian chemical communication 6 (2, pp. 109-217, Serial No. 19), 209-217, 2018 | 15 | 2018 |
| Adsorption of Transition Metal Cations (Cr2+ , Mn2+ , Fe2+ , Cu+ , Ag+ and Au+) on Boron Nitride Nanotube: Structural Analysis and Electronic Properties Marziyeh Mohammadi, Fahimeh Alirezapour, Azadeh Khanmohammadi Advanced Journal of Chemistry, Section A 7 (4), 355-373, 2024 | 14* | 2024 |
| Theoretical study on the interaction of phenylalaninal with group IA (Li+, Na+, K+) and IIA (Be2+, Mg2+, Ca2+) metal cations F Alirezapour, A Khanmohammadi Journal of the Chinese Chemical Society 68 (6), 1002-1012, 2021 | 14 | 2021 |
| The development of van der Waals equation of state for ionic liquids SA Razavizadeh, F Alirezapoor Journal of Molecular Liquids 198, 358-363, 2014 | 12 | 2014 |
| Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study M Mohammadi, F Alirezapour, A Khanmohammadi Theoretical Chemistry Accounts 142 (12), 130, 2023 | 7 | 2023 |
| Structural analysis and electronic properties of transition metal ions (Ni2+, Fe2+, Mn+ and Co+) with psoralen biomolecule as an anticancer drug F Alirezapour, Y Keshavarz, AA Minaeifar, A Khanmohammadi Journal of Organometallic Chemistry 986, 122606, 2023 | 3 | 2023 |
| Synthesis, Theoretical Study and Investigation of Biological Activity of Imidazolidine Derivatives F Alirezapour, K Khandan Barani, E Zarei, Z Hosseinnasab Rostam Polycyclic Aromatic Compounds, 1-26, 2023 | 2 | 2023 |
| Thioindole adsorption as a biologically active anticancer over C20 fullerene in different reaction media using density functional theory M Mohammadi, F Alirezapour Chemical Review and Letters 7 (2), 201-210, 2024 | 1 | 2024 |
| Novel MCRs of Isatins: Green Synthesis and Theoretical Study of Novel Thiazinoazepines F Alirezapour, F Sheikholeslami-Farahani, M Moradian, M Ghazvini Polycyclic Aromatic Compounds, 1-22, 2024 | | 2024 |
| The theoretical investigation of B12As12, Al12As12, and Ga12As12 nano-cages and the effect of encapsulation of alkali metal atoms Li and Na on their electronic structure and … F Alirezapour, M Mohammadi Nashrieh Shimi va Mohandesi Shimi Iran 43 (2), 15-33, 2024 | | 2024 |
| Zigzag boron nitride nanotube functionalization as a sensor for the recognition of group IIA (Mg2+, Ca2+) metal ions, quasi-metal (Si2+, Ge2+) ions, and transition metal (Cu2+ … F Alirezapour, M Mohammadi, A Khanmohammadi Journal of Molecular Modeling 30 (6), 1-13, 2024 | | 2024 |
| Green Synthesis and Biological Study of New Imidazothiazines Using New MCRs: A Combined Experimental and Theoretical Investigation FS Farahani, M Ghazvini, F Alirezapour Polycyclic Aromatic Compounds, 2024 | | 2024 |
| Adsorption of thioindole as a biologically active anticancer to C20 fullerene in different reaction media using density functional theory FA Marziyeh Mohammadi Chemical Review and Letters 7, 201, 2024 | | 2024 |
| CALCULATION OF DENSITY OF LIQUID POLYMERS FROM MODIFIED VAN DER WAALS EQUATION OF STATE SA RAZAVIZADEH, F ALIREZAPOOR, H KAZEMZADEH | | 2016 |
