Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers
Author:
Affiliation:
1. Department of Chemistry, McGill University, 801 Sherbrooke St. W., Montreal H3A 0B8, Québec, Canada
2. Chemical Computing Group Incorporation, 1010 Sherbrooke St. W., Montreal H3A 2R7, Québec, Canada
Funder
Fonds de Recherche du Qu?bec - Nature et Technologies
Natural Sciences and Engineering Research Council of Canada
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00440
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