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Shant Shahbazian
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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
1892014
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
982015
Why bond critical points are not "bond" critical points?
S Shahbazian
Chemistry-A European Journal 24 (21), 5401-5405, 2018
952018
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
792019
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
632010
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
592004
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
542011
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
502008
The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations
M Goli, S Shahbazian
Theoretical Chemistry Accounts 131 (5), 1-19, 2012
472012
Atoms in molecules: beyond Born–Oppenheimer paradigm
M Goli, S Shahbazian
Theoretical Chemistry Accounts 129 (2), 235-245, 2011
462011
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
432016
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
372009
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
322014
An improved ab initio potential energy surface for N2–N2
MHK Jafari, A Maghari, S Shahbazian
Chemical physics 314 (1-3), 249-262, 2005
322005
Where to place the positive muon in the Periodic Table?
M Goli, S Shahbazian
Physical Chemistry Chemical Physics 17 (10), 7023-7037, 2015
312015
Beyond the orthodox QTAIM: motivations, current status, prospects and challenges
S Shahbazian
Foundations of Chemistry 15 (3), 287-302, 2013
292013
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
292011
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
292011
The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles
M Goli, S Shahbazian
Theoretical Chemistry Accounts 132 (12), 1-22, 2013
282013
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
M Goli, S Shahbazian
Theoretical Chemistry Accounts 132 (6), 1-17, 2013
282013
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Articles 1–20