A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions (Q57402691)

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article by Bruce C. Garrett & Donald Truhlar published 15 November 1983 in Journal of Chemical Physics

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English	A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions	article by Bruce C. Garrett & Donald Truhlar published 15 November 1983 in Journal of Chemical Physics

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scholarly article

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A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions (English)

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object named as

Donald G. Truhlar

2

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author name string

Bruce C. Garrett

1

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language of work or name

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publication date

15 November 1983

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Journal of Chemical Physics

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79

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10

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4931-4938

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Exact and Approximate Quantum Mechanical Reaction Probabilities and Rate Constants for the Collinear H + H2Reaction

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Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H(2) and H + H(2).

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Improved treatment of threshold contributions in variational transition-state theory

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Comparison of variational transition state theory and the unified statistical model with vibrationally adiabatic transmission coefficients to accurate collinear rate constants for T+HD→TH+D

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Temperature dependence of the activation energy: D+H2

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Polyatomic canonical variational theory for chemical reaction rates. Separable‐mode formalism with application to OH+H2→H2O+H

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Variational transition state theory and tunneling for a heavy–light–heavy reaction using an ab initio potential energy surface. 37Cl+H(D) 35Cl→H(D) 37Cl+35Cl

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Generalized transition state theory. Classical mechanical theory and applications to collinear reactions of hydrogen molecules

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Generalized transition state theory calculations for the reactions D+H2 and H+D2 using an accurate potential energy surface: Explanation of the kinetic isotope effect

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10.1063/1.445586

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