A hybrid quantum mechanical and empirical model for the prediction of isotropic13C shielding constants of organic molecules
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2002/CP/B206245C
Reference65 articles.
1. 13C NMR Chemical Shift Calculations for Some Substituted Pyridines: A Comparative Consideration
2. Fun with Computational Chemistry: Solving Spectral Problems Using Computed 13C NMR Chemical Shifts. A Comparison of Empirical and Quantum Mechanical Methods
3. Accurate Calculation of NMR Chemical Shifts
4. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
5. D. B. Chesnut , in Reviews in Computational Chemistry, ed. K. B. Lipkowitz and D. B.Boyd, VCH Publishers Inc., New York, 1996, vol. 8, p. 245
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