Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 17, 2022
Source ID
10.1021/acs.jpca.2c03072

Entities

People

  • Christina Yeo
  • Le-Minh Nguyen
  • Lee-Ping Wang

Organizations

  • Army Research Office
  • University of California
  • University of California, Davis
  • University of California, San Diego