The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3

Penotti, Fabio E., Cooper, David L. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2021) The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3. Journal of Physical Chemistry A. pp. 3912-3919. ISSN: 1089-5639

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Item Type: Article
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© 2021 American Chemical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details
Dates:
  • Accepted: 26 April 2021
  • Published (online): 4 May 2021
  • Published: 13 May 2021
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Chemistry (York)
Depositing User: Pure (York)
Date Deposited: 27 Apr 2021 11:30
Last Modified: 20 Sep 2025 01:30
Published Version: https://doi.org/10.1021/acs.jpca.1c02422
Status: Published
Refereed: Yes
Identification Number: 10.1021/acs.jpca.1c02422
Open Archives Initiative ID (OAI ID):

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