Quantum Monte Carlo Study of the Reactions of CH with Acrolein: Major and Minor Channels

Document Details

Document Type
Pub Defense Publication
Publication Date
May 12, 2016
Source ID
10.1021/acs.jpca.5b11527

Entities

People

  • Michael Frenklach
  • Olayinka Olatunji-ojo
  • Ravi I. Singh
  • Srimanta Pakhira
  • William A. Lester Jr.

Organizations

  • Japan Society for the Promotion of Science
  • Lawrence Berkeley National Laboratory
  • Office of Basic Energy Sciences
  • Office of Science
  • United States Army Corps of Engineers

Tags

Technology Areas

  • Quantum Computing