Triggering the mechanism of the initial reaction of energetic materials under pressure based on Raman intensity analysis

Autor: Wei Zheng, Qi-Jun Liu, Fu-Sheng Liu, Zheng-Tang Liu
Rok vydání: 2023
Předmět:
Zdroj: Physical Chemistry Chemical Physics. 25:5685-5693
ISSN: 1463-9084
1463-9076
DOI: 10.1039/d2cp06012d
Popis: The Raman intensity and other stoichiometric calculations of nitromethane (NM) and 2-nitrimino-5-nitro-hexahydro-1,3,5-triazine (NNHT) have been made by using first-principles density functional theory.
Databáze: OpenAIRE