Computation-informed optimization of Ni(PyC)2 functionalization for noble gas separations

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 01, 2022
Source ID
10.1016/j.xcrp.2022.101025

Entities

People

  • Alexander Robinson
  • Arthur Henry York
  • Cory M Simon
  • Davide Tiana
  • Maxwell W Terban
  • Min-bum Kim
  • Nickolas Gantzler
  • Praveen K. Thallapally
  • Robert Dinnebier
  • Sanjit Ghose

Organizations

  • Brookhaven National Laboratory
  • Defense Threat Reduction Agency
  • Irish Centre for High-End Computing
  • Office of Science
  • Ohio State University College of Engineering
  • United States Department of Defense
  • United States Department of Energy