Incorporation of collinear exact quantum reaction probabilities into three-dimensional transition-state theory

The Journal of Physical Chemistry ◽

10.1021/j100209a018 ◽

1982 ◽

Vol 86 (12) ◽

pp. 2232-2239 ◽

Author(s):

Joel M. Bowman ◽

Guan Zhi Ju ◽

Ki Tung Lee

Keyword(s):

Transition State ◽

Transition State Theory ◽

Three Dimensional ◽

State Theory ◽

Exact Quantum ◽

Quantum Reaction

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Spectroscopy of the transition state (theory). 3. Absorption by triatomic hydrogen (H3.dbldag.) in the three-dimensional reaction atomic hydrogen + molecular hydrogen

The Journal of Physical Chemistry ◽

10.1021/j150662a042 ◽

1984 ◽

Vol 88 (18) ◽

pp. 4064-4068 ◽

Author(s):

H. R. Mayne ◽

J. C. Polanyi ◽

N. Sathyamurthy ◽

S. Raynor

Keyword(s):

Transition State ◽

Atomic Hydrogen ◽

Molecular Hydrogen ◽

Transition State Theory ◽

Three Dimensional ◽

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Comparison of variational transition state theory and quantum sudden calculations of three‐dimensional rate coefficients for the reactions D(H)+BrH → DBr(HBr)+H

The Journal of Chemical Physics ◽

10.1063/1.444829 ◽

1983 ◽

Vol 78 (2) ◽

pp. 777-782 ◽

Author(s):

D. C. Clary ◽

Bruce C. Garrett ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Transition State Theory ◽

Three Dimensional ◽

State Theory ◽

Rate Coefficients ◽

Variational Transition State Theory ◽

Variational Transition State

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An exact quantum mechanical transition state theory. 1. An overview

The Journal of Physical Chemistry ◽

10.1021/j100464a024 ◽

1979 ◽

Vol 83 (1) ◽

pp. 171-187 ◽

Author(s):

Aron. Kuppermann

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Exact Quantum ◽

Mechanical Transition

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Accuracy of transition state theory for the threshold of chemical reactions with activation energy. Collinear and three-dimensional atomic hydrogen + molecular hydrogen

Journal of the American Chemical Society ◽

10.1021/ja00837a035 ◽

1975 ◽

Vol 97 (4) ◽

pp. 892-894 ◽

Author(s):

Sally Chapman ◽

Steven M. Hornstein ◽

William H. Miller

Keyword(s):

Activation Energy ◽

Transition State ◽

Chemical Reactions ◽

Atomic Hydrogen ◽

Molecular Hydrogen ◽

Transition State Theory ◽

Three Dimensional ◽

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A test of transition state theory against exact quantum mechanical calculations11This work was supported in part by the United States Atomic Energy Commission, Report Code No. CALT-767P4-74.

Chemical Physics Letters ◽

10.1016/0009-2614(71)85049-2 ◽

1971 ◽

Vol 9 (3) ◽

pp. 269-272 ◽

Author(s):

D.G. Truhlar ◽

A. Kuppermann

Keyword(s):

United States ◽

Transition State ◽

Transition State Theory ◽

Atomic Energy Commission ◽

The United States ◽

State Theory ◽

Atomic Energy ◽

Quantum Mechanical ◽

Exact Quantum ◽

Commission Report

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ChemInform Abstract: ACCURACY OF TRANSITION STATE THEORY FOR THE THRESHOLD OF CHEMICAL REACTIONS WITH ACTIVATION ENERGY, COLLINEAR AND THREE-DIMENSIONAL H+H2

Chemischer Informationsdienst ◽

10.1002/chin.197519034 ◽

1975 ◽

Vol 6 (19) ◽

pp. no-no

Author(s):

SALLY CHAPMAN ◽

STEVEN M. HORNSTEIN ◽

WILLIAM H. MILLER

Keyword(s):

Activation Energy ◽

Transition State ◽

Chemical Reactions ◽

Transition State Theory ◽

Three Dimensional ◽

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Quantum transition state theory for the full three-dimensional H+H2 reaction

The Journal of Chemical Physics ◽

10.1063/1.1858432 ◽

2005 ◽

Vol 122 (9) ◽

pp. 094316 ◽

Author(s):

Yujun Zheng

Keyword(s):

Transition State ◽

Transition State Theory ◽

Three Dimensional ◽

State Theory ◽

Quantum Transition

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Combining transition state theory with quasiclassical trajectory calculations. III. Applications to the three-dimensional H + H2(ν) reaction

Chemical Physics ◽

10.1016/0301-0104(87)80193-3 ◽

1987 ◽

Vol 117 (3) ◽

pp. 421-438 ◽

Author(s):

Robert J. Frost ◽

Ian W.M. Smith

Keyword(s):

Transition State ◽

Transition State Theory ◽

Three Dimensional ◽

State Theory ◽

Trajectory Calculations

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Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing

The Journal of Chemical Physics ◽

10.1063/1.4819076 ◽

2013 ◽

Vol 139 (8) ◽

pp. 084115 ◽

Author(s):

Stuart C. Althorpe ◽

Timothy J. H. Hele

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Transition ◽

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FOURTH-ORDER VIBRATIONAL TRANSITION STATE THEORY AND CHEMICAL KINETICS

Proceedings of the 70th International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2015.ti15 ◽

2015 ◽

Author(s):

John Stanton ◽

Justin Gong ◽

Devin Matthews

Keyword(s):

Transition State ◽

Chemical Kinetics ◽

Fourth Order ◽

Transition State Theory ◽

State Theory ◽

Vibrational Transition

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