Iterative quantum crystallographic refinement based on theoretical multipole atoms derived from solid-state calculations using a Gaussian basis set

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Published inActa crystallographica. Section A, Foundations and advances Vol. 79; no. a2; p. C269
Main Authors Patzer, M., Nöthling, N., Goddard, R., Lehmann, C. W.
Format Journal Article
LanguageEnglish
Published 22.08.2023
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Summary:Abstract only
ISSN:2053-2733
2053-2733
DOI:10.1107/S2053273323093439