Exploring the Reliability of DFT Calculations of the Infrared and Terahertz Spectra of Sodium Peroxodisulfate

Kendrick, J and Burnett, AD orcid.org/0000-0003-2175-1893 (2020) Exploring the Reliability of DFT Calculations of the Infrared and Terahertz Spectra of Sodium Peroxodisulfate. Journal of Infrared, Millimeter and Terahertz Waves, 41 (4). pp. 382-413. ISSN 1866-6892

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Copyright, Publisher and Additional Information: © The Author(s) 2019. This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
Keywords: Terahertz; Density functional theory; Spectroscopy; Infrared; Phonon
Dates:
  • Published: April 2020
  • Accepted: 30 October 2019
  • Published (online): 10 December 2019
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds)
Funding Information:
FunderGrant number
EPSRC (Engineering and Physical Sciences Research Council)EP/P007449/1
Depositing User: Symplectic Publications
Date Deposited: 30 Oct 2019 16:16
Last Modified: 02 Oct 2020 15:19
Status: Published
Publisher: Springer
Identification Number: https://doi.org/10.1007/s10762-019-00643-8
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