Improved Description of Nuclear Magnetic Resonance Chemical Shielding Constants Using the M06-L Meta-Generalized-Gradient-Approximation Density Functional
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp804583d
Reference96 articles.
1. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
2. van Wuellen, C.InCalculation of NMR and EPR Parameters;Kaupp, M.; Buehl, M.; Malkin, V. G., Eds.Wiley-VCH:New York,2004; p85.
3. Calculations of chemical shieldings: Theory and applications
4. Karadakov, P. B.InModern Magnetic Resonance;Webb, G. A., Ed.Springer:Dordrecht, The Netherlands,2006; p59.
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