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Azadeh Khanmohammadi

Observed names: A. Khanmohammadi, AZADEH KHANMOHAMMADI, Khanmohammadi, Azadeh
ORCID: 0000-0002-2444-4031
Observed ORCID: 0000-0002-2444-4031
OpenAlex ID: A5015702600
Three modified activated carbons by different ligands for the solid phase extraction of copper and lead
2007 · M. Ghaedi, F. Ahmadi, et al. · Journal of Hazardous Materials · 127
Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine: conformers, energies, and intramolecular hydrogen-bond strength
2012 · Heidar Raissi, Azadeh Khanmohammadi, et al. · Structural Chemistry · 42
Theoretical investigation on the non-covalent interactions of acetaminophen complex in different solvents: study of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond
2020 · Marziyeh Mohammadi, Azadeh Khanmohammadi · Theoretical Chemistry Accounts · 32
Molecular structure and bonding character of mono and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+, and Ca2+) with substituted benzene derivatives: AIM, NBO, and NMR analyses
2014 · Azadeh Khanmohammadi, Heidar Raissi, et al. · Structural Chemistry · 31
Density functional theory study of the interplay between cation–π and intramolecular hydrogen bonding interactions in complexes involving methyl salicylate with Li+, Na+, K+, Be2+, Mg2+, Ca2+ cations
2021 · Mahsa Pirgheibi, Marziyeh Mohammadi, et al. · Computational and Theoretical Chemistry · 30
Molecular structure, QTAIM and bonding character of cation–π interactions of mono- and divalent metal cations (Li+, Na+, K+, Be2+, Mg2+ and Ca2+) with drug of acetaminophen
2019 · Marziyeh Mohammadi, Azadeh Khanmohammadi · Theoretical Chemistry Accounts · 30
Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach
2015 · Leila Hokmabady, Heidar Raissi, et al. · Structural Chemistry · 30
A comparative study of interplay effects between the cation-π and intramolecular hydrogen bond interactions in the various complexes of methyl salicylate with Mn+, Fe2+, Co+, Ni2+, Cu+, and Zn2+ cations
2021 · Mahsa Pirgheibi, Marziyeh Mohammadi, et al. · Structural Chemistry · 28
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
Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study
2022 · Akbar Hassanpour, Mohammad Reza Poor Heravi, et al. · Journal of Molecular Modeling · 26
Theoretical Study of Stability and Electronic Characteristics in Various Complexes of Psoralen as an Anticancer Drug in Gas Phase, Water and CCl4 Solutions
2022 · Marziyeh Mohammadi, Maryam Mahinian, et al. · Chemical Research in Chinese Universities · 26
Theoretical Study of Various Solvents Effect on 5-fluorouracil-vitamin B3 Complex Using Pcm Method
2019 · Azadeh Khanmohammadi, Marziyeh Mohammadi · Journal of the Chilean Chemical Society · 24
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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
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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
DFT calculations, structural analysis, solvent effects, and non-covalent interaction study on the para-aminosalicylic acid complex as a tuberculosis drug: AIM, NBO, and NMR analyses
2022 · Evan Abdulkareem Mahmood, Mohammad Reza Poor Heravi, et al. · Journal of Molecular Modeling · 14
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
A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine Systems
2013 · Heidar Raissi, Azadeh Khanmohammadi, et al. · Bulletin of the Chemical Society of Japan · 14
Adsorption of sulfur mustard on the transition metals (TM = Ti2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) porphyrins induced in carbon nanocone (TM-PCNC): Insight from DFT calculation
2024 · Ahmad Saeed Hessen, Nahed Mahmood Ahmed Alsultany, et al. · Journal of Molecular Graphics and Modelling · 13
Micelle Mediated Methodology for the Determination of Heavy Metals in Real Samples by Flame Atomic Absorption Spectrometry
2008 · Farshid Farnood Ahmadi, Azadeh Khanmohammadi, et al. · Jordan Journal of Chemistry · 12
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A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe2+ binary complex
2022 · Marziyeh Mohammadi, Fatemeh Hoseinpour, et al. · Theoretical Chemistry Accounts · 11
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
Metal–porphyrin functionalized carbon nanocones as promising COCl₂ sensors: a DFT and NBO perspective
2025 · Somayeh Soleimani-Amiri, Azadeh Khanmohammadi, et al. · Computational and Theoretical Chemistry · 6
Works count: 46
Citation count: 670
H-index: 15
I10-index: 22
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