Improved calculations of rate constants for the H+H2 reaction and its isotopic analogs at low temperatures

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Abstract
The rate constants for the H+H2 reaction and its isotopic analogs at very low temperatures have been recalculated using variational transition‐state theory including one‐dimensional tunneling corrections on the Marcus–Coltrin path. For the calculation of the tunneling correction, numerical integration was used and compared with the use of the Eckart fitting function. Using these calculated rate constants, the Wigner threshold law was reexamined and decay rates of H and D atoms in solid H2, D2, and HD were reestimated. The qualitative trend with isotopes did not change from that found in previous calculations.