Use of Extended-Hückel Descriptors for Rapid and Accurate...

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Journal of Chemical Information and Modeling 2020 / 06

Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers

Wei, Wanlei, Champion, Candide, Barigye, Stephen J., Liu, Zhaomin, Labute, Paul, Moitessier, Nicolas
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Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.0c00440
Date:
June, 2020
File:
PDF, 1000 KB
2020
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