Get started
Author

Fahimeh Alirezapour

Observed name: Alirezapour, Fahimeh
Observed institution: Payame Noor University
ORCID: 0000-0002-2002-5884
Observed ORCID: 0000-0002-2002-5884
OpenAlex ID: A5091559443
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+)
2021 · Marziyeh Mohammadi, Fahimeh Alirezapour, et al. · Theoretical Chemistry Accounts · 27
A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects
2022 · Fahimeh Alirezapour, Kourosh Bamdad, et al. · Journal of Molecular Modeling · 26
Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study
2023 · Marziyeh Mohammadi, Fahimeh Alirezapour, et al. · Theoretical Chemistry Accounts · 22
The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study
2020 · Fahimeh Alirezapour, Azadeh Khanmohammadi · Acta Crystallographica Section C Structural Chemistry · 19
PDF
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
2020 · Fahimeh Alirezapour, Azadeh Khanmohammadi · Theoretical Chemistry Accounts · 15
Theoretical study on the interaction of phenylalaninal with group IA (Li+, Na+, K+) and IIA (Be2+, Mg2+, Ca2+) metal cations
2021 · Fahimeh Alirezapour, Azadeh Khanmohammadi · Journal of the Chinese Chemical Society · 14
Synthesis, Theoretical Study and Investigation of Biological Activity of Imidazolidine Derivatives
2023 · Fahimeh Alirezapour, Khatereh Khandan Barani, et al. · Polycyclic aromatic compounds · 13
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+, Zn2+) ions: a computational study
2024 · Fahimeh Alirezapour, Marziyeh Mohammadi, et al. · Journal of Molecular Modeling · 8
Structural analysis and electronic properties of transition metal ions (Ni2+, Fe2+, Mn+ and Co+) with psoralen biomolecule as an anticancer drug
2022 · Fahimeh Alirezapour, Yasaman Keshavarz, et al. · Journal of Organometallic Chemistry · 8
Novel MCRs of Isatins: Green Synthesis and Theoretical Study of Novel Thiazinoazepines
2024 · Fahimeh Alirezapour, Fatemeh Sheikholeslami-Farahani, et al. · Polycyclic aromatic compounds · 5
A computational analysis on boron nitride nanosheet functionalization with 2-thiouracil drug: effects of Al- and Ga‑doping on the adsorption process
2026 · Fahimeh Alirezapour, Fatemeh Sadat Tahami, et al. · Phosphorus, sulfur, and silicon and the related elements · 3
Insight from DFT Calculation on the Increasing Effect of the Cation-π Interaction on the Intramolecular Hydrogen Bond in Methyl Salicylate Complex with the Presence of Different Solvents
2025 · Fahimeh Alirezapour, Kourosh Bamdad, et al. · Chemical Research in Chinese Universities · 1
A computational analysis on boron nitride nanosheet functionalization with 2-thiouracil drug: effects of Al- and Ga‑doping on the adsorption process
2026 · Alirezapour, Fahimeh, Tahami, Fatemeh Sadat, et al. · Figshare
Green Synthesis and Biological Study of New Imidazothiazines Using New MCRs: A Combined Experimental and Theoretical Investigation
2023 · Fatemeh Sheikholeslami Farahani, Maryam Ghazvini, et al. · Polycyclic aromatic compounds
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 Alkaline-Earth: A DFT Study
2021 · Marziyeh Mohammadi, Fahimeh Alirezapour, et al. · Research Square
PDF
Works count: 16
Citation count: 161
H-index: 8
I10-index: 7
Year
Topic
Type