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Reaction dynamics of H 3 + + CO on an interpolated potential energy surface

Le, Hai Anh; Frankcombe, Terry; Collins, Michael


An accurate potential energy surface for H3+ + CO has been constructed by interpolation of ab initio data. The reaction cross sections and thermal rate coefficients for the production of HCO+ and HOC+ have been evaluated using quasiclassical trajectory simulations.

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp1060182


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