Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 3(21), p. 1408-1416, 2019
DOI: 10.1039/c8cp07084a
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Dissection of the multichannel reaction of acetylene with atomic oxygen: from the global potential energy surface to rate coefficients and branching dynamics
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Abstract
A global potential energy surface for the O(3P) + C2H2reaction is developed and the quasi-classical trajectory study on the potential energy surface reproduce the rate coefficient and product branching ratio.