Errors in DFT integration grids and their potential impact on chemical shift calculations

Wilson, PB ORCID: https://orcid.org/0000-0003-0207-2246, Grootveld, M and Kamerlin, SCL, 2020. Errors in DFT integration grids and their potential impact on chemical shift calculations. Magnetic Resonance in Chemistry, 58 (1), pp. 116-117. ISSN 0749-1581

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Item Type:	Journal article
Publication Title:	Magnetic Resonance in Chemistry
Creators:	Wilson, P.B., Grootveld, M. and Kamerlin, S.C.L.
Publisher:	Wiley
Date:	January 2020
Volume:	58
Number:	1
ISSN:	0749-1581
Identifiers:	Number Type 10.1002/mrc.4940 DOI 1314391 Other
Divisions:	Schools > School of Animal, Rural and Environmental Sciences
Record created by:	Jonathan Gallacher
Date Added:	18 Jun 2020 11:32
Last Modified:	18 Jun 2020 11:32
URI:	https://irep.ntu.ac.uk/id/eprint/40032

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