Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials

Title
Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 124, Issue 40, Pages 8330-8340
Publisher
American Chemical Society (ACS)
Online
2020-09-17
DOI
10.1021/acs.jpca.0c05769

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