A Molecular-Level Reaction Algorithm for Proton Transport Consistent with Quantum Mechanical Transition State Theory and Macroscopic Conductivity

ECS Meeting Abstracts ◽

10.1149/ma2007-01/22/950 ◽

2007 ◽

Keyword(s):

Transition State ◽

Proton Transport ◽

Transition State Theory ◽

Molecular Level ◽

State Theory ◽

Quantum Mechanical ◽

Mechanical Transition

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Classical dynamics and Miller’s collinear quantum mechanical transition state theory

The Journal of Chemical Physics ◽

10.1063/1.431854 ◽

1975 ◽

Vol 63 (9) ◽

pp. 4081 ◽

Cited By ~ 1

Author(s):

G. W. Koeppl ◽

Gary Stein

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Classical Dynamics ◽

Mechanical Transition

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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 ◽

Cited By ~ 47

Author(s):

Aron. Kuppermann

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Exact Quantum ◽

Mechanical Transition

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Quantum mechanical transition state theory and tunneling corrections

The Journal of Chemical Physics ◽

10.1063/1.478304 ◽

1999 ◽

Vol 110 (9) ◽

pp. 4221-4228 ◽

Cited By ~ 13

Author(s):

Ward H. Thompson

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Mechanical Transition

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New approach to quantum mechanical transition-state theory

The Journal of Physical Chemistry ◽

10.1021/j100407a006 ◽

1986 ◽

Vol 90 (16) ◽

pp. 3482-3485 ◽

Cited By ~ 60

Author(s):

John W. Tromp ◽

William H. Miller

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

New Approach ◽

Mechanical Transition

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Importance of nonseparability in quantum mechanical transition-state theory

Accounts of Chemical Research ◽

10.1021/ar50104a005 ◽

1976 ◽

Vol 9 (8) ◽

pp. 306-312 ◽

Cited By ~ 124

Author(s):

William H. Miller

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Mechanical Transition

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A Feynman Path Integral Formulation of Quantum Mechanical Transition State Theory

New Trends in Kramers’ Reaction Rate Theory ◽

10.1007/978-94-011-0465-4_10 ◽

1995 ◽

pp. 197-223 ◽

Cited By ~ 2

Author(s):

Gregory A. Voth

Keyword(s):

Transition State ◽

Path Integral ◽

Transition State Theory ◽

State Theory ◽

Integral Formulation ◽

Quantum Mechanical ◽

Feynman Path Integral ◽

Path Integral Formulation ◽

Feynman Path ◽

Mechanical Transition

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Analytic expression for the transmission coefficient in quantum mechanical transition state theory

Chemical Physics Letters ◽

10.1016/0009-2614(90)87130-j ◽

1990 ◽

Vol 170 (2-3) ◽

pp. 289-296 ◽

Cited By ~ 51

Author(s):

Gregory A. Voth

Keyword(s):

Transition State ◽

Transmission Coefficient ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Mechanical Transition ◽

Analytic Expression

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Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants

The Journal of Chemical Physics ◽

10.1063/1.1682181 ◽

1974 ◽

Vol 61 (5) ◽

pp. 1823-1834 ◽

Cited By ~ 526

Author(s):

William H. Miller

Keyword(s):

Transition State ◽

Rate Constants ◽

Transition State Theory ◽

Reaction Rate ◽

State Theory ◽

Quantum Mechanical ◽

Reaction Rate Constants ◽

Semiclassical Model ◽

Mechanical Transition

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A nonseparable quantum mechanical transition state theory

The Journal of Chemical Physics ◽

10.1063/1.441081 ◽

1981 ◽

Vol 74 (12) ◽

pp. 6765-6770 ◽

Cited By ~ 18

Author(s):

Eli Pollak

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Mechanical Transition

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Feynman path integral formulation of quantum mechanical transition-state theory

The Journal of Physical Chemistry ◽

10.1021/j100134a002 ◽

1993 ◽

Vol 97 (32) ◽

pp. 8365-8377 ◽

Cited By ~ 107

Author(s):

Gregory A. Voth

Keyword(s):

Transition State ◽

Path Integral ◽

Transition State Theory ◽

State Theory ◽

Integral Formulation ◽

Quantum Mechanical ◽

Feynman Path Integral ◽

Path Integral Formulation ◽

Feynman Path ◽

Mechanical Transition

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