Accurate full-dimensional quantum mechanical calculations are reported for the CH4+H→CH3+H2 reaction employing the Jordan–Gilbert potential energy surface. Benchmark results for the thermal rate constant and the cumulative reaction probability are presented and compared to classical transition state theory as well as reduced dimensionality quantum scattering calculations. The importance of quantum effects in this system is highlighted.
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Huarte-Larrañaga et al. (2000) studied this question.
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