Potential energy surfaces microcanonical temperature

D + CH3 CDH3 The recombination reaction of CH3 with H(D) has frequently been studied by FTST approaches [1,6,4,8] and paper I. In all these publications, the ab initio fully dimensional CH4 potential energy surface of Hase Qt al [9] has been used. These studies have shown fliat canonical ST overestimates microcanonical FTST by only 5% to 9% for temperatures from 300 K to 2000 K. Thus a canonical theoiy is largely reliable in comparisons to experiment. In paper I, rate constant calculations for H+CH3 via Eq. (11) reproduced previous canonical FTST studies with full numerical phase space integrations. However, the only reliable measurements of the high pressure recombination rate constant for this system are for the D+CH3 isotopic variant [10]. Here we apply Eq. (11) to this variant. 

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