High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants
Author(s) -
Corentin Poidevin,
Georgi L. Stoychev,
Christoph Riplinger,
Alexander A. Auer
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c01095
Subject(s) - electromagnetic shielding , electronic structure , solid state nuclear magnetic resonance , chemical physics , computational chemistry , materials science , solid state , nuclear magnetic resonance , chemistry , computer science , statistical physics , physics , composite material
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