(Q57402710)

English

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

article by Bruce C. Garrett et al published April 1983 in Journal of Chemical Physics

In more languages

Statements

scholarly article

0 references

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 (English)

0 references

potential energy

0 references

object named as

Donald G. Truhlar

2

0 references

author name string

Bruce C. Garrett

1

0 references

Albert F. Wagner

3

0 references

Thom H. Dunning

4

0 references

language of work or name

0 references

publication date

April 1983

0 references

Journal of Chemical Physics

0 references

78

0 references

7

0 references

4400-4413

0 references

Incorporation of quantum effects in generalized-transition-state theory

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

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%2F1.445323

21 January 2018

Improved treatment of threshold contributions in variational transition-state theory

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

Oscillators with quartic anharmonicity: Approximate energy levels

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

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%2F1.445323

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

Vibrationally adiabatic models for reactive tunneling

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

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%2F1.445323

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

Semiclassical tunneling calculations

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

Functional representation of Liu and Siegbahn’s accurate ab initio potential energy calculations for H+H2

1 reference

https://api.crossref.org/works/10.1063%2F1.445323

21 January 2018

Identifiers

10.1063/1.445323

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q57402710&oldid=1865039229"