Ab initio Molecular Dynamics Study of H2 Formation inside POSS Compounds. 2. The Effect of an Encapsulated Hydrogen Molecule

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 19, 2016
Source ID
10.1021/acs.jpca.6b07907

Entities

People

  • Mark S. Gordon
  • Takako Kudo
  • Tetsuya Taketsugu

Organizations

  • Air Force Office of Scientific Research
  • Gunma University
  • Hokkaido University
  • Iowa State University
  • Ministry of Education, Culture, Sports, Science and Technology