(Q57402701)

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Reaction‐path interpolation models for variational transition state theory

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Reaction‐path interpolation models for variational transition state theory (English)

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Donald G. Truhlar

1

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Nancy J. Kilpatrick

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2

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Bruce C. Garrett

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3

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language of work or name

English

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publication date

March 1983

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number of pages

5

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Journal of Chemical Physics

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volume

78

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issue

5

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page(s)

2438-2442

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cites work

Criterion of minimum state density in the transition state theory of bimolecular reactions

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https://api.crossref.org/works/10.1063%2F1.445046

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21 January 2018

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

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https://api.crossref.org/works/10.1063%2F1.445046

retrieved

21 January 2018

Variational transition-state theory

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https://api.crossref.org/works/10.1063%2F1.445046

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21 January 2018

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

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reference URL

https://api.crossref.org/works/10.1063%2F1.445046

retrieved

21 January 2018

Improved treatment of threshold contributions in variational transition-state theory

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reference URL

https://api.crossref.org/works/10.1063%2F1.445046

retrieved

21 January 2018

Incorporation of quantum effects in generalized-transition-state theory

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https://api.crossref.org/works/10.1063%2F1.445046

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21 January 2018

Generalized transition state theory. Bond energy-bond order method for canonical variational calculations with application to hydrogen atom transfer reactions

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https://api.crossref.org/works/10.1063%2F1.445046

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21 January 2018

Semiclassical tunneling calculations

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https://api.crossref.org/works/10.1063%2F1.445046

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21 January 2018

Effect of curvature of the reaction path on dynamic effects in endothermic chemical reactions and product energies in exothermic reactions

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reference URL

https://api.crossref.org/works/10.1063%2F1.445046

retrieved

21 January 2018

Statistical‐diabatic model for state‐selected reaction rates. Theory and application of vibrational‐mode correlation analysis to OH(nOH)+H2(nHH)→H2O+H

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reference URL

https://api.crossref.org/works/10.1063%2F1.445046

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21 January 2018

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10.1063/1.445046

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(Q57402701)

Reaction‐path interpolation models for variational transition state theory

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