We
[“Least-Action Tunneling Transmission Coefficient for Polyatomic
Reactions,” R. Meana‑Pañeda, D. G. Truhlar, and A.
Fernández-Ramos, Journal of Chemical Theory and Computation 6,
6-17 (2010)] presented a new least-action variational approximation for
tunneling in polyatomic reactions based on the procedure developed by
Garrett and Truhlar for atom−diatom reactions. The method
calculates the semiclassical ground-state tunneling probability at
every tunneling energy by minimizing the value of imaginary action
integral along a family of paths ranging from the minimum energy path
to the straight path. The method was illustrated by applications to two
hydrogen-atom abstraction reactions from methane using analytical
potential energy surfaces. This work was supported by the U.S. Dept. of
Energy, Office of Basic Energy Sciences.
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