Development of a Charge-Implicit ReaxFF Potential for Hydrocarbon Systems

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 08, 2018
Source ID
10.1021/acs.jpclett.7b03155

Entities

People

  • Adri. C. T. Van Duin
  • Barbara J. Garrison
  • Chowdhury M Ashraf
  • Dawid Maciążek
  • Michał Kański
  • Zbigniew Postawa

Organizations

  • Air Force Office of Scientific Research
  • Jagiellonian University
  • National Institutes of Health
  • Pennsylvania State University