Errors in DFT Integration Grids and Their Potential Impact on Chemical Shift Calculations
Date
2019-09-09
Advisors
Journal Title
Journal ISSN
ISSN
Volume Title
Publisher
Wiley
Type
Article
Peer reviewed
Yes
Abstract
Description
The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.
Keywords
Citation
Wilson, P.B., Grootveld, M. and Kamerlin, S.C.L. (2019) Errors in DFT Integration Grids and Their Potential Impact on Chemical Shift Calculations. Magnetic resonance in chemistry: