Experimental Validation of Calculated Atomic Charges in Ionic Liquids

Fogarty, RM, Matthews, RP, Ashworth, CR et al. (6 more authors) (2018) Experimental Validation of Calculated Atomic Charges in Ionic Liquids. The Journal of Chemical Physics, 148 (19). 193817. ISSN 0021-9606

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Authors/Creators:
Copyright, Publisher and Additional Information: The following article appeared in The Journal of Chemical Physics 148, 193817 (2018) and may be found at https://doi.org/10.1063/1.5011662. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.
Keywords: Ionic liquids; X-ray absorption near edge structure; Electrostatics; Computational methods; Electronic structure
Dates:
  • Published: 21 May 2018
  • Accepted: 28 December 2017
  • Published (online): 7 February 2018
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering (Leeds) > School of Chemical & Process Engineering (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 08 Jan 2018 12:20
Last Modified: 09 Feb 2018 04:44
Status: Published
Publisher: AIP Publishing
Identification Number: https://doi.org/10.1063/1.5011662

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