Author

Mohammadmehdi Moradkhani

Observed name: Moradkhani, Mohammadmehdi

ORCID: 0000-0001-8568-2191

Observed ORCID: 0000-0001-8568-2191

OpenAlex ID: A5031315040

Competition and interplay between Hydrogen, Tetrel, and Halogen bonds from interactions of COCl2 and HX (X = F, Cl, Br, and I)

2023 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Computational and Theoretical Chemistry · 18

Ab initio investigation of the competition of pnicogen, halogen, and hydrogen bonds resulting from the interactions between cyanophosphine and hypohalous acids

2023 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Journal of Molecular Modeling · 17

Investigation of structural, spectral, and electronic properties of complexes resulting from the interaction of acetonitrile and hypohalous acids

2023 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Structural Chemistry · 15

Competition of hydrogen, tetrel, and halogen bonds in COCl2-HOX (X=F, Cl, Br, I) complexes

2023 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Journal of Molecular Graphics and Modelling · 13

Quantum study of the competition and interplay between complexes resulting from the interaction of methylamine and halogen cyanides

2024 · Mohammadmehdi Moradkhani, Yunes Abbasi Tyula, et al. · Computational and Theoretical Chemistry · 11

Computational study on the characteristics of the complexes resulting from the interaction of carbonyl selenide and hypohalous acids

2024 · Mohammadmehdi Moradkhani, Yunes Abbasi Tyula · Molecular Physics · 11

A theoretical investigation of the competition between σ- and π-holes on the stability of the complexes resulting from the interaction between the COCl 2 and OCY molecules (Y = S, Se, and Te)

2024 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Phosphorus, sulfur, and silicon and the related elements · 10

A theoretical investigation of the competition between σ- and π-holes on the stability of cyclic complexes resulting from the interaction between PO₂Cl and HSX molecules (X = F, Cl, Br, and I)

2025 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Computational and Theoretical Chemistry · 8

Theoretical investigation of the sensing performance of XCN and Y2S (X = H, Cl and Y = H, O) hazardous gases by pristine and decorated Be10O10 nanoring. A DFT Perspective

2024 · Mohammadmehdi Moradkhani, Ali Naghipour, et al. · Structural Chemistry · 8

Dual donor behaviour of N and P in PH 2 NH 2 ⋯XCN complexes: insights into halogen, tetrel, and pnicogen bond formation via Ab initio methods

2025 · Mohammadmehdi Moradkhani, Yosra Moradkhani · Molecular Physics · 4

Unveiling σ- and π-hole interactions in COSe-XCN (X = F, Cl, Br, and I): Theoretical insights into halogen substitution effects

2025 · Mohammadmehdi Moradkhani, Yunes Abbasi Tyula, et al. · Results in Chemistry · 3

Comparative Analysis of Hydrogen–Tetrel and Halogen–Halogen Interactions in Halogen-Substituted Phosphinothioformamide–COX 2 Complexes: A Multilevel Theoretical Study

2026 · Mohammadmehdi Moradkhani, Yunes Abbasi Tyula, et al. · The Journal of Physical Chemistry A · 2

From first principal study to continuum modeling: competitive gas adsorption in microporous PIM membranes

2026 · Behrouz Bayati, Masoumeh Nourimotlagh, et al. · Physical Chemistry Chemical Physics · 2

Comparative Study of Dihydrogen, Tetrel, and Metal Bonds in Complexes of C3H4 Isomers with MH and MH2 (M = Li, Na, Be, and Mg)

2026 · Mohammadmehdi Moradkhani · Inorganic Chemistry

Hydrophobic functionalization of activated carbon for polystyrene microplastic adsorption: A multiscale computational study

2026 · Mohammadmehdi Moradkhani, Behrouz Bayati, et al. · Chemical Engineering Journal Advances

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Mechanistic insights into σ-hole and lone-pair mediated noncovalent interactions of PH2X with phenol

2026 · Mohammadmehdi Moradkhani, Zohreh Mozafari, et al. · Journal of the Iranian Chemical Society

Multiscale investigation of heavy metal ion removal from wastewater using UiO-66 membrane: A combined MD and DFT study

2026 · Yosra Moradkhani, Behrouz Bayati, et al. · Journal of environmental chemical engineering

Oil-dependent stability of SDS/CTAB catanionic CO₂ foams: A combined experimental and molecular modeling study

2026 · Muhammad Suleymani, Mohammadmehdi Moradkhani, et al. · Results in Chemistry

Theoretical Study of the Effect of Cis–Trans Isomerism on 1,2-Dihaloethylene–Formic Acid Complexes

2026 · Mohammadmehdi Moradkhani · Inorganic Chemistry

Mutual Interplay of Hydrogen–Hydrogen and Hydrogen–Halogen Interactions in NH 2 OH⋯HOX Complexes: A Quantum Chemical Study

2026 · Mohammadmehdi Moradkhani · International Journal of Quantum Chemistry

Works count: 21

Citation count: 122

H-index: 8

I10-index: 7