Ab Initio Reactive Computer Aided Molecular Design
Author:
Affiliation:
1. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, United States
2. SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, United States
Funder
Basic Energy Sciences
Office of Naval Research
Division of Advanced Cyberinfrastructure
Publisher
American Chemical Society (ACS)
Subject
General Medicine,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.7b00010
Reference37 articles.
1. Computer-Aided Molecular Design
2. Application of the PM6 method to modeling proteins
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4. The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations
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