Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 05, 2015
- Source ID
- 10.1021/acs.jctc.5b00407
Entities
People
- William H. Green
- Yury V. Suleimanov
Organizations
- Air Force Office of Scientific Research
- Massachusetts Institute of Technology