| Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study AA Peyghan, M Noei, S Yourdkhani Superlattices and Microstructures 59, 115-122, 2013 | 206 | 2013 |
| Structure and Energetics of Complexes of B12N12 with Hydrogen HalidesSAPT(DFT) and MP2 Study S Yourdkhani, T Korona, NL Hadipour The Journal of Physical Chemistry A 119 (24), 6446-6467, 2015 | 61 | 2015 |
| Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry‐adapted perturbation theory, Møller‐Plesset, and … S Yourdkhani, T Korona, NL Hadipour Journal of Computational Chemistry 36 (32), 2412-2428, 2015 | 54 | 2015 |
| Working mechanism of a BC3 nanotube carbon monoxide gas sensor AA Peyghan, S Yourdkhani, M Noei Communications in Theoretical Physics 60 (1), 113, 2013 | 37 | 2013 |
| Capture of carbon dioxide by a nanosized tube of BeO: a DFT study AA Peyghan, S Yourdkhani Structural Chemistry 25, 419-426, 2014 | 25 | 2014 |
| A DFT study on doping assisted changing of B80 electronic structure: promising candidates for NH3 sensor A Bahrami, S Yourdkhani, MD Esrafili, NL Hadipour Sensors and Actuators B: Chemical 191, 457-463, 2014 | 25 | 2014 |
| A Theoretical Study of OH and OCH3 Free Radical Adsorption on a Nanosized Tube of BC2N AA Peyghan, MB Tabar, S Yourdkhani Journal of Cluster Science 24, 1011-1020, 2013 | 22 | 2013 |
| Revealing the physical nature and the strength of charge‐inverted hydrogen bonds by SAPT (DFT), MP2, SCS‐MP2, MP2C, and CCSD (T) methods S Yourdkhani, M Jabłoński Journal of Computational Chemistry 38 (11), 773-780, 2017 | 19 | 2017 |
| Silicon-doping makes the B12N12 insulator to an n or p-semiconductor MT Baei, S Hashemian, S Yourdkhani Superlattices and Microstructures 60, 437-442, 2013 | 19 | 2013 |
| Interaction of boron–nitrogen doped benzene isomers with water S Yourdkhani, M Chojecki, M Hapka, T Korona The Journal of Physical Chemistry A 120 (31), 6287-6302, 2016 | 15 | 2016 |
| Exohedral functionalization of C60 by [4+2] cycloaddition of multiple anthracenes AA Peyghan, S Yourdkhani Structural Chemistry 25, 785-791, 2014 | 15 | 2014 |
| Random phase approximation applied to many-body noncovalent systems M Modrzejewski, S Yourdkhani, J Klimes Journal of Chemical Theory and Computation 16 (1), 427-442, 2019 | 12 | 2019 |
| Attractive PH⋯ HP interactions revealed by state-of-the-art ab initio calculations S Yourdkhani, M Jabłoński, J Echeverría Physical Chemistry Chemical Physics 19 (41), 28044-28055, 2017 | 12 | 2017 |
| On the role of substituent in noncovalent functionalization of graphene and organophosphor recognition: IQA and SAPT perspective N Javadi, M Najafi, S Yourdkhani International Journal of Quantum Chemistry 117 (13), e25379, 2017 | 11 | 2017 |
| Physical nature of silane⋯ carbene dimers revealed by state‐of‐the‐art ab initio calculations S Yourdkhani, M Jabłoński Journal of Computational Chemistry 40 (30), 2643-2652, 2019 | 10 | 2019 |
| Substituent effects in the so-called cation⋯ π interaction of benzene and its boron–nitrogen doped analogues: overlooked role of σ-skeleton S Yourdkhani, M Chojecki, T Korona Physical Chemistry Chemical Physics 21 (12), 6453-6466, 2019 | 10 | 2019 |
| Stability of endo-and exohedral complexes of all-boron fullerene B40 M Chojecki, S Yourdkhani, D Rutkowska-Zbik, T Korona Computational and Theoretical Chemistry 1133, 7-17, 2018 | 10 | 2018 |
| Interaction of Non‐polarizable Cations with Azaborine Isomers and Their Mono‐Substituted Derivatives: Position, Induction, and Non‐Classical Effects Matter S Yourdkhani, M Chojecki, T Korona ChemPhysChem 19 (22), 3092-3106, 2018 | 7 | 2018 |
| Random-phase approximation in many-body noncovalent systems: Methane in a dodecahedral water cage M Modrzejewski, S Yourdkhani, S Smiga, J Klimes Journal of Chemical Theory and Computation 17 (2), 804-817, 2021 | 6 | 2021 |
| Characteristics and nature of the halogen-bonding interactions between CCl3F and ozone: a supermolecular and SAPT study MD Esrafili, S Yourdkhani, A Bahrami Molecular Physics 111 (24), 3770-3778, 2013 | 4 | 2013 |
Ali Ahmadi PeyghanTarbiat Modares University, IranVerified email at modares.ac.ir
