Car–Parrinello Molecular Dynamics + Metadynamics Study of High-Temperature Methanol Oxidation Reactions Using Generic Collective Variables

Document Details

Document Type
Pub Defense Publication
Publication Date
May 07, 2014
Source ID
10.1021/jp500398k

Entities

People

  • Jim Pfaendtner
  • Shaohui Zheng

Organizations

  • Air Force Office of Scientific Research
  • University of Washington