Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations-Reference-Cited by-同舟云学术

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Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations

Published:2023-05-31 Issue:23 Volume:127 Page:4949-4956
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Cooper David L.¹^ORCID,Penotti Fabio E.²^ORCID,Karadakov Peter B.³^ORCID

Affiliation:

1. Department of Chemistry, University of Liverpool, Liverpool L69 7ZD, U.K.

2. Consiglio Nazionale delle Ricerche, Istituto di Scienze e Tecnologie Chimiche “Giulio Natta”, Via Golgi 19, I-20133 Milano (MI), Italy

3. Department of Chemistry, University of York, Heslington, York YO10 5DD, U.K.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c01857

Reference31 articles.

1. The ab initio spin-coupled description of methane: Hybridization without preconceptions

2. THE NATURE OF THE CHEMICAL BOND. APPLICATION OF RESULTS OBTAINED FROM THE QUANTUM MECHANICS AND FROM A THEORY OF PARAMAGNETIC SUSCEPTIBILITY TO THE STRUCTURE OF MOLECULES

3. Directed Valence in Polyatomic Molecules

4. Hybridisation is not arbitrary

5. Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and Acetylene

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1. Electronic structure of Li_1,2,3^+,0,– and nature of the bonding in Li_2,3^+,0,–;Journal of Computational Chemistry;2023-11-15

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