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Errors in DFT integration grids and their potential impact on chemical shift calculations
Author(s) -
Wilson Philippe B.,
Grootveld Martin,
Kamerlin Shina Caroline Lynn
Publication year - 2020
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4940
Subject(s) - gateway (web page) , pharmacy , library science , medicine , computer science , family medicine , world wide web
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