Acceleration vs Accuracy: Influence of Basis Set Quality on the Mechanism and Dynamics Predicted by Ab Initio Molecular Dynamics

Document Details

Document Type: Pub Defense Publication
Publication Date: Sep 17, 2019
Source ID: 10.1021/acs.jpcc.9b03554

Entities

People

Bryan M. Wong
Sharma S R K C Yamijala
Zulfikhar A. Ali

Organizations

Army Research Office