Computational Study of the Reaction of 1-Methyl-4-amino-1,2,4-triazolium Dicyanamide with NO2: From Reaction Dynamics to Potential Surfaces, Kinetics and Spectroscopy

Document Details

Document Type
Pub Defense Publication
Publication Date
Feb 21, 2019
Source ID
10.1021/acs.jpcb.9b01015

Entities

People

  • Ghanshyam L Vaghjiani
  • Jianbo Liu
  • Steven D Chambreau
  • Wenjing Zhou

Organizations

  • Air Force Office of Scientific Research
  • Air Force Research Laboratory
  • Queens College