Multiple transition states in chemical reactions: Variational transition state theory studies of the HO2and HeH+2systems

Kihyung Song; Walter J. Chesnavich

doi:10.1063/1.456757

Multiple transition states in chemical reactions: Variational transition state theory studies of the HO2and HeH+2systems

The Journal of Chemical Physics ◽

10.1063/1.456757 ◽

1989 ◽

Vol 91 (8) ◽

pp. 4664-4678 ◽

Cited By ~ 17

Author(s):

Kihyung Song ◽

Walter J. Chesnavich

Keyword(s):

Transition State ◽

Chemical Reactions ◽

Transition State Theory ◽

Transition States ◽

State Theory ◽

Variational Transition State Theory ◽

Variational Transition State

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Molecular Mechanics for Chemical Reactions: A Standard Strategy for Using Multiconfiguration Molecular Mechanics for Variational Transition State Theory with Optimized Multidimensional Tunneling

The Journal of Physical Chemistry A ◽

10.1021/jp011951h ◽

2001 ◽

Vol 105 (37) ◽

pp. 8465-8487 ◽

Cited By ~ 61

Author(s):

Titus V. Albu ◽

José C. Corchado ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Molecular Mechanics ◽

Chemical Reactions ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Multidimensional Tunneling ◽

Standard Strategy ◽

Variational Transition State

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Variational Transition State Theory and Tunneling Calculations with Reorientation of the Generalized Transition States for Methyl Cation Transfer

The Journal of Physical Chemistry A ◽

10.1021/jp9807672 ◽

1998 ◽

Vol 102 (19) ◽

pp. 3420-3428 ◽

Cited By ~ 28

Author(s):

Angels González-Lafont ◽

Jordi Villà ◽

José M. Lluch ◽

Juan Bertrán ◽

Rozeanne Steckler ◽

...

Keyword(s):

Transition State ◽

Transition State Theory ◽

Transition States ◽

State Theory ◽

Variational Transition State Theory ◽

Variational Transition State ◽

Methyl Cation

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Variational transition state theory for activated chemical reactions in solution

International Reviews in Physical Chemistry ◽

10.1080/01442359409353296 ◽

1994 ◽

Vol 13 (2) ◽

pp. 263-289 ◽

Cited By ~ 16

Author(s):

Bruce C. Garrett ◽

Gregory K. Schenter

Keyword(s):

Transition State ◽

Chemical Reactions ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Variational Transition State

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Anharmonic Semiclassical Variational Transition-State Theory Rate Constant Model for H Atom Association with Different Sites on the Diamond {111} Surface†

The Journal of Physical Chemistry A ◽

10.1021/jp003826w ◽

2001 ◽

Vol 105 (11) ◽

pp. 2453-2457 ◽

Cited By ~ 1

Author(s):

Kihyung Song ◽

William L. Hase

Keyword(s):

Transition State ◽

Rate Constant ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Variational Transition State

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Variational transition state theory for activated rate processes

The Journal of Chemical Physics ◽

10.1063/1.459175 ◽

1990 ◽

Vol 93 (2) ◽

pp. 1116-1124 ◽

Cited By ~ 63

Author(s):

Eli Pollak

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Rate Processes ◽

Variational Transition State

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ChemInform Abstract: Variational Transition State Theory Methods for Calculating Reaction Rate Constants in Gas and Condensed Phases

ChemInform ◽

10.1002/chin.200021292 ◽

2010 ◽

Vol 31 (21) ◽

pp. no-no

Author(s):

Bruce C. Garrett

Keyword(s):

Transition State ◽

Rate Constants ◽

Transition State Theory ◽

Reaction Rate ◽

State Theory ◽

Condensed Phases ◽

Variational Transition State Theory ◽

Reaction Rate Constants ◽

Variational Transition State

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Classical Variational Transition State Theory Study of Hydrogen Atom Diffusion Dynamics in Imperfect Xenon Matrices

The Journal of Physical Chemistry A ◽

10.1021/jp962215u ◽

1997 ◽

Vol 101 (3) ◽

pp. 235-242 ◽

Cited By ~ 6

Author(s):

Ran Pan ◽

Lionel M. Raff

Keyword(s):

Hydrogen Atom ◽

Transition State ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Atom Diffusion ◽

Diffusion Dynamics ◽

Variational Transition State

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Variational transition state theory calculation of proton transfer dynamics in (H3CH...CH3)-

The Journal of Physical Chemistry ◽

10.1021/j100111a010 ◽

1993 ◽

Vol 97 (9) ◽

pp. 1765-1769 ◽

Cited By ~ 17

Author(s):

Alan D. Isaacson ◽

Lan Wang ◽

Steve Scheiner

Keyword(s):

Proton Transfer ◽

Transition State ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Theory Calculation ◽

Variational Transition State

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Thermal rate constant for hydrogen atom + methyl radical .fwdarw. methane recombination. 3. Comparison of experiment and canonical variational transition state theory

Journal of the American Chemical Society ◽

10.1021/ja00244a010 ◽

1987 ◽

Vol 109 (10) ◽

pp. 2916-2922 ◽

Cited By ~ 83

Author(s):

William L. Hase ◽

Sandra L. Mondro ◽

Ronald J. Duchovic ◽

David M. Hirst

Keyword(s):

Hydrogen Atom ◽

Transition State ◽

Rate Constant ◽

Transition State Theory ◽

State Theory ◽

Methyl Radical ◽

Variational Transition State Theory ◽

Thermal Rate Constant ◽

Variational Transition State

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Nanodusty plasma chemistry: a mechanistic and variational transition state theory study of the initial steps of silyl anion–silane and silylene anion–silane polymerization reactions

Physical Chemistry Chemical Physics ◽

10.1039/c5cp01979f ◽

2015 ◽

Vol 17 (24) ◽

pp. 15928-15935 ◽

Cited By ~ 17

Author(s):

Junwei Lucas Bao ◽

Prasenjit Seal ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Reaction Mechanisms ◽

Transition State Theory ◽

Plasma Chemistry ◽

State Theory ◽

Variational Transition State Theory ◽

Variational Transition State

The aim of the present work is to understand the detailed reaction mechanisms in the growth of nanodusty particles, which is critical in plasma chemistry, physics and engineering.

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