State-to-state dynamics of the Cl(2P) + C2H6(ν5, ν1 = 0, 1) → HCl(v′, j′) + C2H5 hydrogen abstraction reactions
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DOI: 10.1007/s00214-019-2416-3
Abstract: Using quasi-classical trajectory calculations on a recently developed full-dimensional potential energy surface, the effects of ethane reactant vibrational excitation, ν5 = 1, on the dynamics of the title reaction were analyzed. By analyzing the classical results from… read more here.
Keywords: state; energy; hcl product; state state ... See more keywords