Radial potential energy functions of linear halogen-bonded complexes YX…ClF, (YX = FB, OC, SC, N2) and the effects of substituting X by second-row analogues : Mulliken inner and outer complexes

Hill, J.G. orcid.org/0000-0002-6457-5837 and Legon, A.C. (2022) Radial potential energy functions of linear halogen-bonded complexes YX…ClF, (YX = FB, OC, SC, N2) and the effects of substituting X by second-row analogues : Mulliken inner and outer complexes. Journal of Physical Chemistry A, 126 (16). pp. 2511-2521. ISSN 1089-5639

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Copyright, Publisher and Additional Information: © 2022 American Chemical Society. This is an author-produced version of a paper subsequently published in Journal of Physical Chemistry A. Uploaded in accordance with the publisher's self-archiving policy.
Dates:
  • Accepted: 28 March 2022
  • Published (online): 15 April 2022
  • Published: 28 April 2022
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 06 Apr 2022 14:06
Last Modified: 29 Apr 2022 08:33
Status: Published
Publisher: American Chemical Society
Refereed: Yes
Identification Number: https://doi.org/10.1021/acs.jpca.2c01205
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