Evaluation of Approximate Exchange-Correlation Functionals in Predicting One-Bond31P–1H NMR Indirect Spin–Spin Coupling Constants
Author:
Affiliation:
1. Texas Christian University, 2800 South University Drive, Fort Worth, Texas 76129, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct3010613
Reference109 articles.
1. Theory and calculation of nuclear spin–spin coupling constants
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4. The quantum-chemical calculation of NMR indirect spin–spin coupling constants
5. The Correct Structure of Aquatolide—Experimental Validation of a Theoretically-Predicted Structural Revision
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