Efficient Molecular Dynamics Simulations of Multiple Radical Center Systems Based on the Fragment Molecular Orbital Method

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 03, 2014
Source ID
10.1021/jp507726m

Entities

People

  • Dmitri G Fedorov
  • Hiroya Nakata
  • Kazuo Kitaura
  • Mark S. Gordon
  • Michael W. Schmidt
  • Shinichiro Nakamura

Organizations

  • Air Force Office of Scientific Research
  • Iowa State University
  • Japan Society for the Promotion of Science
  • Kobe University
  • Ministry of Education, Culture, Sports, Science and Technology
  • National Institute of Advanced Industrial Science and Technology
  • RIKEN
  • Tokyo Institute of Technology

Tags

Technology Areas

  • Space