Assessment of Predicting Frontier Orbital Energies for Small Organic Molecules Using Knowledge-Based and Structural Information
Author:
Affiliation:
1. Department of Chemistry, National Taiwan Normal University, Taipei 11677, Taiwan
2. Department of Computer Science and Information Engineering, National Taiwan Normal University, Taipei 11677, Taiwan
Funder
Ministry of Science and Technology, Taiwan
Publisher
American Chemical Society (ACS)
Subject
General Earth and Planetary Sciences,General Environmental Science
Link
https://pubs.acs.org/doi/pdf/10.1021/acsengineeringau.2c00011
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