Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSe

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 28, 2017
Source ID
10.1021/acs.jpca.7b09779

Entities

People

  • Donald Truhlar
  • Kamal Sharkas
  • Laura Gagliardi

Organizations

  • Air Force Office of Scientific Research
  • Division of Chemistry
  • University of Minnesota

Tags

Technology Areas

  • Space