Theoretical Study of H-Abstraction Reactions from CH3Cl and CH3Br Molecules by ClO and BrO Radicals

The rate constants of the H-abstraction reactions from CH3Cl and CH3Br molecules by ClO and BrO radicals have been estimated over the temperature range of 300–2500 K using four different levels of theory. Calculations of optimized geometrical parameters and vibrational frequencies are performed usin...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2012-05, Vol.116 (17), p.4396-4408
Hauptverfasser:	Canneaux, Sébastien, Hammaecher, Catherine, Cours, Thibaud, Louis, Florent, Ribaucour, Marc
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!