Modeling a halogen dance reaction mechanism: A density functional theory study

Jones, L and Whitaker, BJ (2016) Modeling a halogen dance reaction mechanism: A density functional theory study. Journal of Computational Chemistry, 37 (18). pp. 1697-1703. ISSN 0192-8651

Abstract

Metadata

Authors/Creators:
  • Jones, L
  • Whitaker, BJ
Copyright, Publisher and Additional Information: © 2016 Wiley Periodicals, Inc. This is the peer reviewed version of the following article: Jones, L and Whitaker, BJ (2016) Modeling a halogen dance reaction mechanism: A density functional theory study. Journal of Computational Chemistry, 37 (18). pp. 1697-1703, which has been published in final form at http://dx.doi.org/10.1002/jcc.24385. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: density functional calculations; aromatic substitution; transition states; molecular modeling
Dates:
  • Published: 5 July 2016
  • Accepted: 21 March 2016
  • Published (online): 13 April 2016
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Maths and Physical Sciences (Leeds) > School of Chemistry (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 28 Jun 2016 10:06
Last Modified: 04 Nov 2017 00:11
Published Version: http://dx.doi.org/10.1002/jcc.24385
Status: Published
Publisher: Wiley
Identification Number: https://doi.org/10.1002/jcc.24385

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