Peculiar Reaction Products and Mechanisms Revisited with Machine Learning-Augmented Computational NMR
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of Denver, Denver, Colorado 80208, United States
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.joc.2c00749
Reference61 articles.
1. Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry
2. b See also Tantillo’s excellent compilation of various NMR computational approaches at http://cheshirenmr.info (accessed 1/3/2022).
3. NMR Calculations with Quantum Methods: Development of New Tools for Structural Elucidation and Beyond
4. Computer Assisted Structure Elucidation (CASE): Current and future perspectives
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