Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction.


The prototypical multi-channel reaction H + H2S → H2 + SH/H + H2S has been investigated using the full-dimensional quantum scattering and quasi-classical trajectory methods to unveil the underlying competition mechanism between different product channels and the mode specificity. This reaction favors the abstraction channel over the exchange channel. For… (More)
DOI: 10.1063/1.4978685

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