Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths C Foroutan‐Nejad, S Shahbazian, R Marek Chemistry–A European Journal 20 (32), 10140-10152, 2014 | 229 | 2014 |
Why bond critical points are not "bond" critical points? S Shahbazian Chemistry-A European Journal 24 (21), 5401-5405, 2018 | 159 | 2018 |
Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of computational chemistry 40 (26), 2248-2283, 2019 | 131 | 2019 |
Six questions on topology in theoretical chemistry PL Ayers, RJ Boyd, P Bultinck, M Caffarel, R Carbó-Dorca, M Causá, ... Computational and Theoretical Chemistry 1053, 2-16, 2015 | 113 | 2015 |
The electron density vs. NICS scan: a new approach to assess aromaticity in molecules with different ring sizes C Foroutan-Nejad, S Shahbazian, P Rashidi-Ranjbar Physical Chemistry Chemical Physics 12 (39), 12630-12637, 2010 | 75 | 2010 |
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings C Foroutan‐Nejad, S Shahbazian, F Feixas, P Rashidi‐Ranjbar, M Solà Journal of Computational Chemistry 32 (11), 2422-2431, 2011 | 70 | 2011 |
Unique 1∶2 adduct formation of meso-tetraarylporphyrins and meso-tetraalkylporphyrins with BF3: a spectroscopic and ab initio study D Mohajer, S Zakavi, S Rayati, M Zahedi, N Safari, HR Khavasi, ... New Journal of Chemistry 28 (12), 1600-1607, 2004 | 69 | 2004 |
Revisiting the foundations of quantum theory of atoms in molecules (QTAIM): The variational procedure and the zero‐flux conditions P Nasertayoob, S Shahbazian International Journal of Quantum Chemistry 108 (9), 1477-1484, 2008 | 57 | 2008 |
To What Extent are “Atoms in Molecules” Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities? ZA Keyvani, S Shahbazian, M Zahedi Chemistry–A European Journal 22 (14), 5003–5009, 2016 | 52 | 2016 |
Atoms in molecules: beyond Born–Oppenheimer paradigm M Goli, S Shahbazian Theoretical Chemistry Accounts 129, 235-245, 2011 | 49 | 2011 |
The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations M Goli, S Shahbazian Theoretical Chemistry Accounts 131, 1-19, 2012 | 48 | 2012 |
Revisiting the foundations of the quantum theory of atoms in molecules: toward a rigorous definition of topological atoms P Nasertayoob, S Shahbazian International Journal of Quantum Chemistry 109 (4), 726-732, 2009 | 41 | 2009 |
The Laplacian of Electron Density versus NICSzz Scan: Measuring Magnetic Aromaticity among Molecules with Different Atom Types C Foroutan-Nejad, Z Badri, S Shahbazian, P Rashidi-Ranjbar The Journal of Physical Chemistry A 115 (45), 12708-12714, 2011 | 38 | 2011 |
The quantum divided basins: A new class of quantum subsystems F Heidarzadeh, S Shahbazian International Journal of Quantum Chemistry 111 (12), 2788-2801, 2011 | 36 | 2011 |
Deciphering the “chemical” nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic … M Goli, S Shahbazian Physical Chemistry Chemical Physics 16 (14), 6602-6613, 2014 | 34 | 2014 |
The critical re-evaluation of the aromatic/antiaromatic nature of Ti 3 (CO) 3: a missed opportunity? C Foroutan-Nejad, S Shahbazian, P Rashidi-Ranjbar Physical Chemistry Chemical Physics 13 (10), 4576-4582, 2011 | 34 | 2011 |
An improved ab initio potential energy surface for N2–N2 MHK Jafari, A Maghari, S Shahbazian Chemical physics 314 (1-3), 249-262, 2005 | 34 | 2005 |
Where to place the positive muon in the Periodic Table? M Goli, S Shahbazian Physical Chemistry Chemical Physics 17 (10), 7023-7037, 2015 | 32 | 2015 |
The quantum theory of atoms in positronic molecules: a case study on diatomic species M Goli, S Shahbazian International Journal of Quantum Chemistry 111 (9), 1982-1998, 2011 | 32 | 2011 |
Toward a regional quantum description of the positronic systems: Primary considerations P Nasertayoob, M Goli, S Shahbazian International Journal of Quantum Chemistry 111 (9), 1970-1981, 2011 | 31 | 2011 |