title: Least-Action Tunneling Transmission Coefficient for Polyatomic Reactions.
abstract: We present a new least-action variational approximation for tunneling in polyatomic reactions based on the procedure developed by Garrett and Truhlar for atom-diatom reactions. (63) 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 is illustrated by applications to two hydrogen-atom abstraction reactions from methane using analytical potential energy surfaces.
authors.affiliation: Department of Physical Chemistry, Faculty of Chemistry, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain, and Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street S. E., Minneapolis, Minnesota 55455-0431.
authors.forename: Rubén
authors.initials: R
authors.lastname: Meana-Pañeda
authors.affiliation: Department of Physical Chemistry, Faculty of Chemistry, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain, and Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street S. E., Minneapolis, Minnesota 55455-0431.
authors.forename: Donald G
authors.initials: DG
authors.lastname: Truhlar
authors.affiliation: Department of Physical Chemistry, Faculty of Chemistry, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain, and Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street S. E., Minneapolis, Minnesota 55455-0431.
authors.forename: Antonio
authors.initials: A
authors.lastname: Fernández-Ramos