The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations M Goli, S Shahbazian Theoretical Chemistry Accounts 131 (5), 1208, 2012 | 49 | 2012 |
Atoms in molecules: beyond Born–Oppenheimer paradigm M Goli, S Shahbazian Theoretical Chemistry Accounts 129, 235-245, 2011 | 49 | 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 | 35 | 2014 |
Where to place the positive muon in the Periodic Table? M Goli, S Shahbazian Physical Chemistry Chemical Physics 17 (10), 7023-7037, 2015 | 33 | 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 |
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), 1410, 2013 | 31 | 2013 |
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 |
Toward the multi-component quantum theory of atoms in molecules: a variational derivation M Goli, S Shahbazian Theoretical Chemistry Accounts 132 (6), 1365, 2013 | 30 | 2013 |
Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals “alchemical” transformation from a triatomic to a diatomic structure M Goli, S Shahbazian Physical Chemistry Chemical Physics 17 (1), 245-255, 2015 | 28 | 2015 |
The two-component quantum theory of atoms in molecules (TC-QTAIM): tensor formulation and its implications M Goli, S Shahbazian Theoretical Chemistry Accounts 132 (6), 1362, 2013 | 27 | 2013 |
Muon‐Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution M Goli, S Shahbazian Chemistry–A European Journal 22 (7), 2525-2531, 2016 | 22 | 2016 |
Topological and AIM analyses beyond the Born–Oppenheimer paradigm: New opportunities M Goli, S Shahbazian Computational and Theoretical Chemistry 1053, 96-105, 2015 | 18 | 2015 |
Studying optical and nonlinear optical properties of synthesized azo dyes doped in polymer and liquid crystal using birefringence and Z‐scan techniques NH Nataj, E Mohajerani, H Nemati, A Moheghi, MR Yazdanbakhsh, ... Journal of applied polymer science 127 (1), 456-462, 2013 | 18 | 2013 |
On the nature of the positronic bond M Goli, S Shahbazian ChemPhysChem 20 (6), 831-837, 2019 | 17 | 2019 |
Extending the Domain‐Averaged Exchange‐Correlation Energies Within the Context of the MC‐QTAIM: Tracing Subtle Variations Induced by Isotope Substitution M Goli, S Shahbazian ChemPhysChem 17 (23), 3875-3880, 2016 | 9 | 2016 |
How intrinsic nuclear nonadiabaticity affects molecular structure, electronic density, and conformational stability: Insights from the multicomponent DFT calculations of Mu/H … M Goli, S Jalili International Journal of Quantum Chemistry 118 (22), e25758, 2018 | 8 | 2018 |
Two-component density functional theory for muonic molecules: Inclusion of the electron–positive muon correlation functional M Goli, S Shahbazian The Journal of Chemical Physics 156 (4), 044104, 2022 | 7 | 2022 |
Developing effective electronic-only coupled-cluster and Møller–Plesset perturbation theories for the muonic molecules M Goli, S Shahbazian Physical Chemistry Chemical Physics 20 (24), 16749-16760, 2018 | 7 | 2018 |
Effective electronic-only Kohn–Sham equations for the muonic molecules M Rayka, M Goli, S Shahbazian Physical Chemistry Chemical Physics 20 (13), 8802-8811, 2018 | 2 | 2018 |
MC-QTAIM analysis reveals an exotic bond in coherently quantum superposed malonaldehyde M Goli, S Shahbazian Physical Chemistry Chemical Physics 25 (7), 5718-5730, 2023 | 1 | 2023 |