Determination of H-Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two-Component Systems Containing Isonicotinamide

Edwards, PT orcid.org/0000-0002-8730-4765, Saunders, LK, Grinter, DC et al. (4 more authors) (2022) Determination of H-Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two-Component Systems Containing Isonicotinamide. The Journal of Physical Chemistry A, 126 (19). pp. 2889-2898. ISSN 1089-5639

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Copyright, Publisher and Additional Information: © 2022 The Authors. This is an open access article under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0)
Dates:
  • Published (online): 10 May 2022
  • Published: 19 May 2022
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 30 May 2022 15:52
Last Modified: 30 May 2022 15:52
Status: Published
Publisher: American Chemical Society (ACS)
Identification Number: https://doi.org/10.1021/acs.jpca.2c00439
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