Full-dimensional potential energy surface for acetylacetone and tunneling splittings
Abstract
New, full-dimensional potential energy surface for acetylacetone allows for description of H-tunneling dynamics and characterization of stationary points.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2021
- Source ID
- 10.1039/d0cp04221h
Entities
People
- Chen Qu
- Joel Bowman
- Paul Houston
- Riccardo Conte
Organizations
- Army Research Office
- Cornell University
- United States Army
- University of Maryland
- University of Milan
- Yusuf Hamied Department of Chemistry