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Two-component density functional theory for muonic molecules: Inclusion of the electron–positive muon correlation functional

The Journal of chemical physics, 2022-01, Vol.156 (4), p.044104-044104

2022

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Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

Chemistry : a European journal, 2014-08, Vol.20 (32), p.10140-10152

2014

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Why Bond Critical Points Are Not “Bond” Critical Points

Chemistry : a European journal, 2018-04, Vol.24 (21), p.5401-5405

Shahbazian, Shant

2018

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To What Extent are "Atoms in Molecules" Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?

Chemistry : a European journal, 2016-03, Vol.22 (14), p.5003-5009

2016

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Where to place the positive muon in the Periodic Table?

Physical chemistry chemical physics : PCCP, 2015-03, Vol.17 (10), p.7023-7037

2015

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Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals "alchemical" transformation from a triatomic to a diatomic structure

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (1), p.245-255

2015

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Revisiting the foundations of the quantum theory of atoms in molecules: Some open problems

International journal of quantum chemistry, 2018-08, Vol.118 (16), p.n/a

Shahbazian, Shant

2018

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Six questions on topology in theoretical chemistry

Computational and theoretical chemistry, 2015-02, Vol.1053, p.2-16

2015

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MC-QTAIM analysis reveals an exotic bond in coherently quantum superposed malonaldehyde

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (7), p.5718-573

2023

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Frontispiece: Why Bond Critical Points Are Not “Bond” Critical Points

Chemistry : a European journal, 2018-04, Vol.24 (21), p.n/a

Shahbazian, Shant

2018

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On the Nature of the Positronic Bond

Chemphyschem, 2019-03, Vol.20 (6), p.831-837

2019

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Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution

Chemistry : a European journal, 2016-02, Vol.22 (7), p.2525-2531

2016

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Incorporating nuclear vibrational energies into the “atom in molecules” analysis: An analytical study

The Journal of chemical physics, 2017-04, Vol.146 (15), p.154106-154106

2017

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Developing effective electronic-only coupled-cluster and Møller-Plesset perturbation theories for the muonic molecules

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (24), p.16749-16760

2018

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On the nature of the two-positron bond: evidence for a novel bond type

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (43), p.29531-29547

2023

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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 table

Physical chemistry chemical physics : PCCP, 2014-04, Vol.16 (14), p.662-6613

2014

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Developing effective electronic-only coupled-cluster and Møller-Plesset perturbation theories for the muonic moleculesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp02489h

2018-06

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Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM: Tracing Subtle Variations Induced by Isotope Substitution

Chemphyschem, 2016-12, Vol.17 (23), p.3875-3880

2016

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Some implications of the Hartree product treatment of the quantum nuclei in the ab initio nuclear–electronic orbital methodology

Physics letters. A, 2016-12, Vol.380 (47), p.3983-3987

2016

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Seeking Extremes in Molecular Design: To What Extent May Two "Non-Bonded" Hydrogen Atoms be Squeezed in a Hydrocarbon?

Chemphyschem, 2016-01, Vol.17 (1), p.51-54

2016

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Letter to the Editor: The mathematical soundness and the physical content of the subsystem variational procedure of the QTAIM

International journal of quantum chemistry, 2011-12, Vol.111 (15), p.4497-4500

Shahbazian, Shant

2011

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The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations

Theoretical chemistry accounts, 2012-05, Vol.131 (5), Article 1208

2012

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The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles

Theoretical chemistry accounts, 2013-12, Vol.132 (12), Article 1410

2013

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Beyond the orthodox QTAIM: motivations, current status, prospects and challenges

Foundations of chemistry, 2013-10, Vol.15 (3), p.287-302

Shahbazian, Shant

2013

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Toward the multi-component quantum theory of atoms in molecules: a variational derivation

Theoretical chemistry accounts, 2013-06, Vol.132 (6), Article 1365

2013

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Two-component density functional theory for muonic molecules: Inclusion of the electron–positive muon correlation functional

Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

Why Bond Critical Points Are Not “Bond” Critical Points

To What Extent are "Atoms in Molecules" Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?

Where to place the positive muon in the Periodic Table?

Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals "alchemical" transformation from a triatomic to a diatomic structure

Revisiting the foundations of the quantum theory of atoms in molecules: Some open problems

Six questions on topology in theoretical chemistry

MC-QTAIM analysis reveals an exotic bond in coherently quantum superposed malonaldehyde

Frontispiece: Why Bond Critical Points Are Not “Bond” Critical Points

On the Nature of the Positronic Bond

Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution

Incorporating nuclear vibrational energies into the “atom in molecules” analysis: An analytical study

Developing effective electronic-only coupled-cluster and Møller-Plesset perturbation theories for the muonic molecules

On the nature of the two-positron bond: evidence for a novel bond type

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 table

Developing effective electronic-only coupled-cluster and Møller-Plesset perturbation theories for the muonic moleculesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp02489h

Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM: Tracing Subtle Variations Induced by Isotope Substitution

Some implications of the Hartree product treatment of the quantum nuclei in the ab initio nuclear–electronic orbital methodology

Seeking Extremes in Molecular Design: To What Extent May Two "Non-Bonded" Hydrogen Atoms be Squeezed in a Hydrocarbon?

Letter to the Editor: The mathematical soundness and the physical content of the subsystem variational procedure of the QTAIM

The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations

The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles

Beyond the orthodox QTAIM: motivations, current status, prospects and challenges

Toward the multi-component quantum theory of atoms in molecules: a variational derivation

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