| Molecular dynamic simulation of dicationic ionic liquids: effects of anions and alkyl chain length on liquid structure and diffusion S Yeganegi, A Soltanabadi, D Farmanzadeh The Journal of Physical Chemistry B 116 (37), 11517-11526, 2012 | 95 | 2012 |
| Yttrium doped graphene oxide as a new adsorbent for H2O, CO, and ethylene molecules: Dispersion-corrected DFT calculations L Tabari, D Farmanzadeh Applied Surface Science 500, 144029, 2020 | 34 | 2020 |
| BNNTs under the influence of external electric field as potential new drug delivery vehicle of Glu, Lys, Gly and Ser amino acids: A first-principles study D Farmanzadeh, S Ghazanfary Applied surface science 320, 391-399, 2014 | 34 | 2014 |
| DFT studies of functionalized zigzag and armchair boron nitride nanotubes as nanovectors for drug delivery of collagen amino acids D Farmanzadeh, S Ghazanfary Structural Chemistry 25, 293-300, 2014 | 34 | 2014 |
| 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 | 32 | 2019 |
| Adsorption of O3, SO2 and NO2 molecules on the surface of pure and Fe-doped silicon carbide nanosheets: a computational study D Farmanzadeh, NA Ardehjani Applied Surface Science 462, 685-692, 2018 | 32 | 2018 |
| Theoretical study of ozone adsorption on the surface of Fe, Co and Ni doped boron nitride nanosheets D Farmanzadeh, NA Ardehjani Applied Surface Science 444, 642-649, 2018 | 31 | 2018 |
| Electric field effects on the adsorption of formaldehyde molecule on the ZnO nanotube surface: A theoretical investigation D Farmanzadeh, L Tabari Computational and Theoretical Chemistry 1016, 1-7, 2013 | 30 | 2013 |
| Theoretical study of a conjugated aromatic molecular wire D Farmanzadeh, Z Ashtiani Structural Chemistry 21, 691-699, 2010 | 29 | 2010 |
| Electric field effects on the performance of a candidate multipole molecular switch: A quantum computational study H Sabzyan, D Farmanzadeh Journal of Computational Chemistry 28 (5), 922-931, 2007 | 28 | 2007 |
| Adsorption of diazinon and hinosan molecules on the iron-doped boron nitride nanotubes surface in gas phase and aqueous solution: A computational study D Farmanzadeh, H Rezainejad Applied Surface Science 364, 862-869, 2016 | 26 | 2016 |
| Interaction of vitamins A, B1, C, B3 and D with zigzag and armchair boron nitride nanotubes: a DFT study D Farmanzadeh, S Ghazanfary Comptes Rendus. Chimie 17 (10), 985-993, 2014 | 26 | 2014 |
| Graphene-supported Cu11 nanocluster as a candidate catalyst for the selective hydrogenation of acetylene: A density functional study T Abdollahi, D Farmanzadeh Journal of Alloys and Compounds 735, 117-130, 2018 | 25 | 2018 |
| Effect of Ni addition on electrocatalytic activity of PdCu catalysts for ethanol electrooxidation: an experimental and theoretical study H Rostami, T Abdollahi, P Mehdipour, AA Rostami, D Farmanzadeh International Journal of Hydrogen Energy 42 (39), 24713-24725, 2017 | 24 | 2017 |
| DFT study of adsorption of picric acid molecule on the surface of single-walled ZnO nanotube; as potential new chemical sensor D Farmanzadeh, L Tabari Applied Surface Science 324, 864-870, 2015 | 24 | 2015 |
| First principle electric field response of single-walled boron nitride nanotube: a case study of zigzag (4, 0) model D Farmanzadeh, S Ghazanfary Structural Chemistry 20, 709-717, 2009 | 23 | 2009 |
| Adsorption of benzene and toluene molecules on surface of pure and doped cadmium oxide nanosheets: a computational investigation D Farmanzadeh, A Valipour Applied Surface Science 450, 509-515, 2018 | 21 | 2018 |
| The effect of electric field on interaction of glycine with (6, 0) single-walled boron nitride nanotube D Farmanzadeh, S Ghazanfary Journal of the Serbian Chemical Society 78 (1), 75-83, 2013 | 21 | 2013 |
| 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 | 20 | 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 | 20 | 2019 |
