Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

Document Details

Document Type: Pub Defense Publication
Publication Date: May 26, 2019
Source ID: 10.1021/acs.jpcc.9b03817

Entities

People

Christopher Cramer
Mohammad R Momeni

Organizations

United States Department of Defense
University of Minnesota Supercomputing Institute