Unimolecular reaction rate theory for highly flexible transition states: use of conventional coordinates

Stephen J. Klippenstein; R. A. Marcus

doi:10.1021/j100322a020

Unimolecular reaction rate theory for highly flexible transition states: use of conventional coordinates

The Journal of Physical Chemistry ◽

10.1021/j100322a020 ◽

1988 ◽

Vol 92 (11) ◽

pp. 3105-3109 ◽

Cited By ~ 37

Author(s):

Stephen J. Klippenstein ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of CH2CO into CH2 and CO. II. Photofragment excitation spectra for vibrationally‐excited fragments

The Journal of Chemical Physics ◽

10.1063/1.459023 ◽

1990 ◽

Vol 93 (4) ◽

pp. 2418-2424 ◽

Cited By ~ 41

Author(s):

Stephen J. Klippenstein ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Excitation Spectra ◽

Vibrationally Excited ◽

Reaction Rate Theory

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Unimolecular reaction rate theory for highly flexible transition states. 2. Conventional coordinate formulas for the various possible fragment combinations: miscellaneous topics

The Journal of Physical Chemistry ◽

10.1021/j100330a018 ◽

1988 ◽

Vol 92 (19) ◽

pp. 5412-5417 ◽

Cited By ~ 25

Author(s):

Stephen J. Klippenstein ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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Unimolecular reaction rate theory for transition states of any looseness. 3. Application to methyl radical recombination

The Journal of Physical Chemistry ◽

10.1021/j100412a098 ◽

1986 ◽

Vol 90 (21) ◽

pp. 5383-5393 ◽

Cited By ~ 95

Author(s):

David M. Wardlaw ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Methyl Radical ◽

Radical Recombination ◽

Reaction Rate Theory

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Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of CH2CO into CH2 and CO

The Journal of Chemical Physics ◽

10.1063/1.457035 ◽

1989 ◽

Vol 91 (4) ◽

pp. 2280-2292 ◽

Cited By ~ 76

Author(s):

Stephen J. Klippenstein ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of NCNO into NC and NO

The Journal of Chemical Physics ◽

10.1063/1.455670 ◽

1988 ◽

Vol 89 (8) ◽

pp. 4761-4770 ◽

Cited By ~ 83

Author(s):

S. J. Klippenstein ◽

L. R. Khundkar ◽

A. H. Zewail ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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The Additions and Corrections - Unimolecular Reaction Rate Theory for Transition States of Any Looseness. 3. Application to Methyl Radical Recombination.

The Journal of Physical Chemistry ◽

10.1021/j100302a600 ◽

1987 ◽

Vol 91 (18) ◽

pp. 4864-4864 ◽

Cited By ~ 3

Author(s):

David M. Wardlaw ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Methyl Radical ◽

Radical Recombination ◽

Reaction Rate Theory

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Unimolecular reaction rate theory for transition states of partial looseness. II. Implementation and analysis with applications to NO2 and C2H6 dissociations

The Journal of Chemical Physics ◽

10.1063/1.449151 ◽

1985 ◽

Vol 83 (7) ◽

pp. 3462-3480 ◽

Cited By ~ 161

Author(s):

David M. Wardlaw ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Transition States ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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Dissociation and Isomerization of Vibrationally Excited Species. II. Unimolecular Reaction Rate Theory and Its Application

The Journal of Chemical Physics ◽

10.1063/1.1733376 ◽

1962 ◽

Vol 37 (8) ◽

pp. 1835-1852 ◽

Cited By ~ 144

Author(s):

Grace M. Wieder ◽

R. A. Marcus

Keyword(s):

Reaction Rate ◽

Rate Theory ◽

Unimolecular Reaction ◽

Vibrationally Excited ◽

Excited Species ◽

Reaction Rate Theory

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An approximate classical unimolecular reaction rate theory

The Journal of Chemical Physics ◽

10.1063/1.462604 ◽

1992 ◽

Vol 96 (9) ◽

pp. 6654-6665 ◽

Cited By ~ 21

Author(s):

Meishan Zhao ◽

Stuart A. Rice

Keyword(s):

Reaction Rate ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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An efficient solution of weak-collision master equations in thermal unimolecular reaction rate theory

Chemical Physics ◽

10.1016/0301-0104(83)85187-8 ◽

1983 ◽

Vol 74 (3) ◽

pp. 365-381 ◽

Cited By ~ 20

Author(s):

Harold W. Schranz ◽

Sture Nordholm

Keyword(s):

Efficient Solution ◽

Reaction Rate ◽

Master Equations ◽

Rate Theory ◽

Unimolecular Reaction ◽

Reaction Rate Theory

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