Skip navigation
Skip navigation

An Adiabatic Capture Theory and Quasiclassical Trajectory Study of C + NO and O + CN on the 2 A', 2 A", and 4 A" Potential Energy Surfaces

Frankcombe, Terry; Andersson, Stefan


The adiabatic capture centrifugal sudden approximation (ACCSA) has been applied to the C + NO and O + CN reactions, along with quasiclassical trajectory simulations. Existing global analytic fits to the potential energy surfaces of the CNO system in the2A′,2A″, and4A″ electronic states have been used. Thermal rate constants for reaction in each of the electronic states have been calculated. In all cases a strong temperature dependence is evident in the calculated rate constants. The agreement...[Show more]

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp3018869


File Description SizeFormat Image
01_Frankcombe_An_Adiabatic_Capture_Theory_2012.pdf411.48 kBAdobe PDF    Request a copy

Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  17 November 2022/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator