Soheila Asadollahi

发表

The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational study.

M. Esrafili, S. Asadollahi, Soheila Asadollahi, 2017, Journal of molecular graphics & modelling.

An ab initio study on properties of cationic chalcogen bonds in XF2Y+⋯NCZ (X═H, CN, F; Y═S, Se; Z═H, Cl, Br) complexes

M. Esrafili, S. Asadollahi, Soheila Asadollahi, 2017 .

Strengthening of the halogen-bonding by an aerogen bond interaction: substitution and cooperative effects in O3Z···NCX···NCY (Z = Ar, Kr, Xe; X = Cl, Br, I; Y = H, F, OH) complexes

M. Esrafili, S. Asadollahi, Soheila Asadollahi, 2016 .

Competition between chalcogen bond and halogen bond interactions in YOX4:NH3 (Y = S, Se; X = F, Cl, Br) complexes: An ab initio investigation

M. Esrafili, S. Asadollahi, Y. Dadban Shahamat, 2016, Structural Chemistry.

The mutual influence of Y···N and H···H interactions in XHY···NCH···HM complexes (X = F, Cl, Br; Y = S, Se; M = Li, Na, BeH, MgH): tuning of the chalcogen bond by dihydrogen bond interaction

M. Esrafili, S. Asadollahi, Y. Shahamat, 2016 .

Anionic tetrel bonds: An ab initio study

M. Esrafili, Parisasadat Mousavian, S. Asadollahi, 2018 .

Thermodynamic studies of solute–solute and solute–solvent interactions in ternary aqueous systems containing {betaine + PEGDME250} and {betaine + K3PO4 or K2HPO4} at 298.15 K

H. Shekaari, M. T. Zafarani-Moattar, Soheila Asadollahi, 2023, Scientific reports.

A comparative DFT study on single-atom catalysis of CO oxidation over Al- and P-embedded hexagonal boron-nitride nanosheets.

M. Esrafili, S. Asadollahi, Soheila Asadollahi, 2018, Journal of molecular graphics & modelling.

Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study

M. Esrafili, S. Asadollahi, Soheila Asadollahi, 2019, Applied Surface Science.

A Single Pd Atom Stabilized on Boron-Vacancy of h-BN Nanosheet: A Promising Catalyst for CO Oxidation

M. Esrafili, S. Asadollahi, Soheila Asadollahi, 2018, ChemistrySelect.

A DFT study on NO reduction to N2O using Al- and P-doped hexagonal boron nitride nanosheets.

M. Esrafili, S. Asadollahi, S. Heydari, 2019, Journal of molecular graphics & modelling.