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Mohammad Goli
Mohammad Goli
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The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations
M Goli, S Shahbazian
Theoretical Chemistry Accounts 131 (5), 1208, 2012
492012
Atoms in molecules: beyond Born–Oppenheimer paradigm
M Goli, S Shahbazian
Theoretical Chemistry Accounts 129, 235-245, 2011
492011
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
352014
Where to place the positive muon in the Periodic Table?
M Goli, S Shahbazian
Physical Chemistry Chemical Physics 17 (10), 7023-7037, 2015
332015
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
322011
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
312013
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
312011
Toward the multi-component quantum theory of atoms in molecules: a variational derivation
M Goli, S Shahbazian
Theoretical Chemistry Accounts 132 (6), 1365, 2013
302013
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
282015
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
272013
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
222016
Topological and AIM analyses beyond the Born–Oppenheimer paradigm: New opportunities
M Goli, S Shahbazian
Computational and Theoretical Chemistry 1053, 96-105, 2015
182015
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
182013
On the nature of the positronic bond
M Goli, S Shahbazian
ChemPhysChem 20 (6), 831-837, 2019
172019
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
92016
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
82018
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
72022
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
72018
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
22018
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
12023
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