Nuclear Shieldings with the SSB-D Functional
Author:
Affiliation:
1. Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus Montilivi, 17071 Girona, Spain
2. Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23, 08010, Barcelona, Spain
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp108327c
Reference64 articles.
1. Folding, Conformational Changes, and Dynamics of Cytochromes c Probed by NMR Spectroscopy
2. Computational NMR spectroscopy: reversing the information flow
3. Quantitative prediction of gas-phase 13C nuclear magnetic shielding constants
4. Improved NMR chemical shifts in density functional theory
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