Fahimeh Alirezapour

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+, Ni2+, Cu+, Zn2+)

Marziyeh Mohammadi, Fahimeh Alirezapour, Azadeh Khanmohammadi · Theoretical Chemistry Accounts · 2021 · 26 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects

Fahimeh Alirezapour, Kourosh Bamdad, Azadeh Khanmohammadi et al. · Journal of Molecular Modeling · 2022 · 24 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study

Marziyeh Mohammadi, Fahimeh Alirezapour, Azadeh Khanmohammadi · Theoretical Chemistry Accounts · 2023 · 19 citations

Natural Sciences, Materials Science, Physics +15

Computational study of noncovalent interactions within the various complexes of para aminosalicylic acid and Cr2+, Mn+, Fe2+, Co+, Ni2+, Cu+, Zn2+ cations: exploration of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

Fahimeh Alirezapour, Azadeh Khanmohammadi · Theoretical Chemistry Accounts · 2020 · 15 citations

Natural Sciences, Chemistry, Computational Chemistry +16

The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study

Fahimeh Alirezapour, Azadeh Khanmohammadi · Acta Crystallographica Section C Structural Chemistry · 2020 · 14 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17