Reaction dynamics of H 3 + + CO on an interpolated potential energy surface
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Le, Hai Anh
Frankcombe, Terry
Collins, Michael
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American Chemical Society
Abstract
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.
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Journal of Physical Chemistry A
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2037-12-31
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