Potential energy surface stationary points and dynamics of the F−+ CH3I double inversion mechanism
Abstract
Direct dynamics simulations were performed to study the SN2 double inversion mechanism SN2-DI, with retention of configuration, for the F−+ CH3I reaction.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2017
- Source ID
- 10.1039/c7cp02998e
Entities
People
- Anyang Li
- Hua Guo
- Jiaxu Zhang
- Li Yang
- William L Hase
- Xinyou Ma
- Yong-Tao Ma
Organizations
- Air Force Office of Scientific Research
- Harbin Institute of Technology
- Ministry of Education
- National Natural Science Foundation of China
- Northwest University
- Robert A. Welch Foundation
- Texas Tech University
- United States Army
- University of New Mexico
- Yusuf Hamied Department of Chemistry