(Q57402729)

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

article by Alan D. Isaacson et al published February 1982 in Journal of Chemical Physics

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

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Donald G. Truhlar

2

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Alan D. Isaacson

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1

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English

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publication date

February 1982

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published in

Journal of Chemical Physics

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volume

76

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issue

3

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page(s)

1380-1391

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Variational transition state theory. Primary kinetic isotope effects for atom transfer reactions

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21 January 2018

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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21 January 2018

Improved treatment of threshold contributions in variational transition-state theory

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21 January 2018

Variational transition state theory and vibrationally adiabatic transmission coefficients for kinetic isotope effects in the Cl–H–H reaction system

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21 January 2018

Variational transition-state theory

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21 January 2018

Classical generalized transition-state theory. Application to a collinear reaction with two saddle points

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21 January 2018

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

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21 January 2018

Accuracy of tunneling corrections to transition state theory for thermal rate constants of atom transfer reactions

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21 January 2018

A general small-curvature approximation for transition-state-theory transmission coefficients

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21 January 2018

Semiclassical tunneling calculations

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21 January 2018

Oscillators with quartic anharmonicity: Approximate energy levels

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21 January 2018

The Energy Levels of a Rotating Vibrator

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21 January 2018

Variational transition state theory, vibrationally adiabatic transmission coefficients, and the unified statistical model tested against accurate quantal rate constants for collinear F+H2, H+F2, and isotopic analogs

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21 January 2018

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10.1063/1.443130

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(Q57402729)

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

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