(Q57402774)

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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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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 (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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Roger S. Grev

3

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Alan W. Magnuson

4

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J. N. L. Connor

5

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language of work or name

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publication date

15 August 1980

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number of pages

8

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Journal of Chemical Physics

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73

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4

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1721-1728

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

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https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

The importance of isotope-dependent transmission coefficients in calculating low-temperature isotope effects

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

Quasiclassical trajectory calculations compared to quantum mechanical reaction probabilities, rate constants, and activation energies for two different potential surfaces for the collinear reaction H2+I→H+HI, including dependence on initial vibrati

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

Accuracy of trajectory calculations and transition state theory for thermal rate constants of atom transfer reactions

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

Improved treatment of threshold contributions in variational transition-state theory

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

Interpretation and temperature dependence of the energy of activation for the reactions H + Cl2, H2 + I, H + H2, and isotopic analogs

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

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

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

Semiclassical tunneling calculations

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

Improved canonical variational theory for chemical reaction rates. Classical mechanical theory and applications to collinear reactions

1 reference

https://api.crossref.org/works/10.1063%2F1.440308

21 January 2018

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10.1063/1.440308

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