Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 21, 2015
Source ID
10.1021/jp510274e

Entities

People

  • Adri. C. T. Van Duin
  • Prashant Ganesh
  • Sriram Goverapet Srinivasan

Organizations

  • Air Force Office of Scientific Research
  • Oak Ridge National Laboratory
  • Office of Basic Energy Sciences
  • Pennsylvania State University