Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations

Cooper, David L., Penotti, Fabio E. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2023) Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations. Journal of Physical Chemistry A. 4949–4956. ISSN 1089-5639

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Item Type: Article
Authors/Creators:
Copyright, Publisher and Additional Information:

© 2023 The Authors
Dates:
  • Published: 15 June 2023
  • Published (online): 31 May 2023
  • Accepted: 19 May 2023
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Chemistry (York)
Depositing User: Pure (York)
Date Deposited: 24 May 2023 11:20
Last Modified: 16 Oct 2024 19:12
Published Version: https://doi.org/10.1021/acs.jpca.3c01857
Status: Published
Refereed: Yes
Identification Number: 10.1021/acs.jpca.3c01857
Open Archives Initiative ID (OAI ID):

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