Exclusion principle repulsion effects on the covalent bond beyond the Born–Oppenheimer approximation-Reference-Cited by-同舟云学术

Exclusion principle repulsion effects on the covalent bond beyond the Born–Oppenheimer approximation

Published:2019 Issue:20 Volume:21 Page:10411-10416
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sarsa A.¹²³⁴⁵^ORCID,Alcaraz-Pelegrina J. M.¹²³⁴⁵^ORCID,Le Sech C.⁶⁷⁸⁹¹⁰

Affiliation:

1. Departamento de Física

2. Campus de Rabanales Edif. C2

3. Universidad de Córdoba

4. E-14071 Córdoba

5. Spain

6. Institut des Sciences Moléculaires d'Orsay (ISMO)

7. CNRS

8. Univ. Paris-Sud

9. Université Paris-Saclay

10. F-91405 Orsay

Abstract

Electronic depletion of the covalent bond by the Pauli exclusion principle repulsion. Energies and quantum forces are calculated.

Funder

Dirección General de Investigación Científica y Técnica

Agencia de Innovación y Desarrollo de Andalucía

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01063G

Reference36 articles.

1. Charge-Shift Bonding—A Class of Electron-Pair Bonds That Emerges from Valence Bond Theory and Is Supported by the Electron Localization Function Approach

2. The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond

3. Charge-shift bonding and its manifestations in chemistry

4. M. Massimi , Pauli's Exclusion Principle , Cambridge University Press , Cambridge , 2005

5. S. Jarvis , A.Sweetmany , L.Kantorovichz , E.McGlynn and P.Moriarty , in Imaging and Manipulation of Adsorbates using Dynamic Force Microscopy , ed. P. Moriarty and S. Gauthier , Springer Verlag GMBH , Cham, Switzerland , 2015 , vol. V of Advances in Atom and Single Molecule Machines, pp. 1–24

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