Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of trans- and gauche-Ethanol Using a CCSD(T) Potential Energy Surface

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 14, 2022
Source ID
10.1021/acs.jpca.2c06322

Entities

People

  • Apurba Nandi
  • Chen Qu
  • Joel Bowman
  • Paul Houston
  • Qi Yu
  • Riccardo Conte

Organizations

  • Army Research Office
  • Cornell University
  • Emory University
  • Georgia Tech
  • National Aeronautics and Space Administration
  • University of Milan
  • Yale University