A. Khanmohammadi

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Determination of Some Heavy Metals in Real Samples by FAAS after Preconcentration on 4-Nitro-2-(2-nitro- phenelazo)phenol Modified Activated Carbon

Elaheh Konoz, A. Sarrafi, A. Khanmohammadi, 2012 .

Micell-Mediated Extraction for Preconcentration and Determination of Copper and Zinc in Real Samples

K. Niknam, A. Khanmohammadi, F. Ahmadi, 2009 .

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

A. Khanmohammadi, Fahimeh Alirezapour, F. Alirezapour, 2020, Acta crystallographica. Section C, Structural chemistry.

Theoretical study on the interaction of phenylalaninal with group IA (Li + , Na + , K + ) and IIA (Be 2+ , Mg 2+ , Ca 2+ ) metal cations

A. Khanmohammadi, Fahimeh Alirezapour, F. Alirezapour, 2021 .

A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe2+ binary complex

M. Mohammadi, A. Khanmohammadi, F. Hoseinpour, 2022, Theoretical Chemistry Accounts.

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

A. Ebadi, A. Khanmohammadi, M. R. Poor Heravi, 2022, Journal of Molecular Modeling.

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

A. Khanmohammadi, Kourosh Bamdad, N. Ebrahimi, 2022, Journal of Molecular Modeling.

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

A. Ebadi, A. Khanmohammadi, M. R. Poor Heravi, 2022, Journal of Molecular Modeling.

Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study

A. Hassanpour, A. Khanmohammadi, M. R. Poor Heravi, 2022, Journal of Molecular Modeling.

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

A. Khanmohammadi, Fahimeh Alirezapour, M. Mohammadi, 2021 .

A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe2+ binary complex

M. Mohammadi, A. Khanmohammadi, F. Hoseinpour, 2022, Theoretical Chemistry Accounts.

Theoretical Study of Stability and Electronic Characteristics in Various Complexes of Psoralen as an Anticancer Drug in Gas Phase, Water and CCl4 Solutions

M. Mohammadi, A. Khanmohammadi, Maryam Mahinian, 2022, Chemical Research in Chinese Universities.

Structural analysis and electronic properties of transition metal ions (Ni2+, Fe2+, Mn+ and Co+) with psoralen biomolecule as an anticancer drug

A. Khanmohammadi, A. Minaeifar, F. Alirezapour, 2022, Journal of Organometallic Chemistry.

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

M. Mohammadi, A. Khanmohammadi, Mahsa Pirgheibi, 2021 .

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

M. Mohammadi, A. Khanmohammadi, 2020, Theoretical Chemistry Accounts.

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

M. Mohammadi, A. Khanmohammadi, 2019, Theoretical Chemistry Accounts.

PVC Coated with an Indole Derivative-Loaded Triton X-100: a New Sorbent for Cu, Zn and Mn Ions

K. Niknam, E. Niknam, A. Khanmohammadi, 2011 .

Three modified activated carbons by different ligands for the solid phase extraction of copper and lead.

M. Ghaedi, M. Montazerozohori, A. Khanmohammadi, 2008, Journal of hazardous materials.

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

H. Raissi, A. Khanmohammadi, Leila Hokmabady, 2016, Structural Chemistry.

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+)

M. Mohammadi, A. Khanmohammadi, Fahimeh Alirezapour, 2021, Theoretical Chemistry Accounts.

Theoretical Study on the Interaction between 5-Fluorouracil Anticancer Drug and Nitrosamine as a Family of Potent Carcinogenic Compounds in Different Solvents: A Quantum Chemical Study

A. Khanmohammadi, Leila Hokmabadi, 2020 .

Micelle Mediated Methodology for the Determination of Heavy Metals in Real Samples by Flame Atomic Absorption Spectrometry

M. Mirzazadeh, A. Khanmohammadi, F. Ahmadi, 2008 .

Ab initio and DFT studies on 1-(thionitrosomethylene) hydrazine: conformers, energies, and intramolecular hydrogen-bond strength

H. Raissi, A. Khanmohammadi, Fariba Mollania, 2013, Structural Chemistry.

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

H. Raissi, A. Khanmohammadi, Fariba Mollania, 2014, Structural Chemistry.

A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine Systems

H. Raissi, A. Khanmohammadi, Fariba Mollania, 2013 .

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

M. Mohammadi, A. Khanmohammadi, Mahsa Pirgheibi, 2021, Structural Chemistry.

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

A. Khanmohammadi, Fahimeh Alirezapour, F. Alirezapour, 2020, Theoretical Chemistry Accounts.

The Influence of Cation-π Interactions on the Strength and Nature of Intramolecular O...H Hydrogen Bond in Orthohydroxy Benzaldehyde Compound

A. Khanmohammadi, F. Ravari, 2017 .

THEORETICAL STUDY OF VARIOUS SOLVENTS EFFECT ON 5-FLUOROURACIL-VITAMIN B3 COMPLEX USING PCM METHOD

M. Mohammadi, A. Khanmohammadi, 2019, Journal of the Chilean Chemical Society.