| Computational assessment on the interaction of amantadine drug with B12N12 and Zn12O12 nanocages and improvement in adsorption behaviors by impurity … D Farmanzadeh, M Keyhanian Theoretical Chemistry Accounts 138, 1-10, 2019 | 36 | 2019 |
| Effect of oxygen termination on the interaction of first row transition metals with M 2 C MXenes and the feasibility of single-atom catalysts M Keyhanian, D Farmanzadeh, Á Morales-García, F Illas Journal of Materials Chemistry A 10 (16), 8846-8855, 2022 | 24 | 2022 |
| The role of Mn and Fe transition metal atoms mediation on the aniline adsorption by B40 fullerene: A computational investigation M Keyhanian, D Farmanzadeh Journal of Molecular Liquids 294, 111638, 2019 | 22 | 2019 |
| Relating X-ray photoelectron spectroscopy data to chemical bonding in MXenes N García-Romeral, M Keyhanian, Á Morales-García, F Illas Nanoscale Advances 3 (10), 2793-2801, 2021 | 17 | 2021 |
| Understanding the Chemical Bond in Semiconductor/MXene Composites: TiO2 Clusters Anchored on the Ti2C MXene Surface N Garcia Romeral, M Keyhanian, A Morales Garcia, F Viñes, F Illas Riera Chemistry–A European Journal, e202400255, 2024 | 5 | 2024 |
| Boosting adsorption ability of toluene, phenol, and aniline pollutants in B38 borofullerene via doping process M Keyhanian, D Farmanzadeh Applied Surface Science 587, 152841, 2022 | 5 | 2022 |
| First principles modeling of composites involving TiO2 clusters supported on M2C MXenes FI Masooemh Keyhanian, Néstor García-Romeral, Ángel Morales-García, Francesc ... Physical Chemistry Chemical Physics 26, 25319-25328, 2024 | 1 | 2024 |
| Investigation of reason for vanishing nucleophilic character of nitrogen atom in some isatin pharmaceutical derivatives using DFT and NBO studies AR Nekoei, M Keyhanian, F Gheisi Journal of Quantum Chemistry and Spectroscopy 6 (18), 1-12, 2016 | | 2016 |
| INSIGHTS ON THE NATURE OF THE CHEMICAL BOND OF COMPOSITES MADE OF TIO2 CLUSTERS SUPPORTED ON TI2C FROM DENSITY FUNCTIONAL THEORY NMGR González, M Keyhanian, ÁM García, F Viñes, FI Riera COMMITEES, 32, 0 | | |
| Estimation of Intramolecular Hydrogen Bond Energy in β-Diketones AR Nekoei, M Keyhanian | | |
| Trends in energetic and electronic properties of Implanation of Transition Metal Atoms in M2CO2 MXenes M Keyhanian, Á Morales-García, D Farmanzadeh, F Illas | | |
Davood FarmanzadehProfessor of Physical Chemistry, Department of Physical Chemistry, Faculty of Chemistryایمیل تأیید شده در umz.ac.ir