General, Rigorous Approach for the Treatment of Interfragment Covalent Bonds

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 27, 2022
Source ID
10.1021/acs.jpca.2c04015

Entities

People

  • Bryce M. Westheimer
  • Mark S. Gordon

Organizations

  • Ames National Laboratory
  • Division of Advanced Cyberinfrastructure
  • Iowa State University
  • United States Department of Energy