Variational transition state theory for electron transfer reactions in solution

Ilan Benjamin; Eli Pollak

doi:10.1063/1.472743

Variational transition state theory for electron transfer reactions in solution

The Journal of Chemical Physics ◽

10.1063/1.472743 ◽

1996 ◽

Vol 105 (20) ◽

pp. 9093-9103 ◽

Cited By ~ 9

Author(s):

Ilan Benjamin ◽

Eli Pollak

Keyword(s):

Electron Transfer ◽

Transition State ◽

Transition State Theory ◽

State Theory ◽

Transfer Reactions ◽

Variational Transition State Theory ◽

Electron Transfer Reactions ◽

Variational Transition State

Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

Hydrogen-Transfer Reactions ◽

10.1002/9783527611546.ch27 ◽

2007 ◽

pp. 833-874 ◽

Cited By ~ 2

Author(s):

Donald G. Truhlar ◽

Bruce C. Garrett

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Transfer ◽

State Theory ◽

Transfer Reactions ◽

Variational Transition State Theory ◽

Variational Transition State ◽

Hydrogen Transfer Reactions

A dynamical test of the centroid formulation of quantum transition state theory for electron transfer reactions

Chemical Physics Letters ◽

10.1016/0009-2614(93)85529-w ◽

1993 ◽

Vol 206 (1-4) ◽

pp. 130-136 ◽

Cited By ~ 20

Author(s):

C.H. Mak ◽

John N. Gehlen

Keyword(s):

Electron Transfer ◽

Transition State ◽

Transition State Theory ◽

State Theory ◽

Quantum Transition ◽

Transfer Reactions ◽

Electron Transfer Reactions

ChemInform Abstract: Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

ChemInform ◽

10.1002/chin.200829275 ◽

2008 ◽

Vol 39 (29) ◽

Author(s):

Donald G. Truhlar ◽

Bruce C. Garrett

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Transfer ◽

State Theory ◽

Transfer Reactions ◽

Variational Transition State Theory ◽

Variational Transition State ◽

Hydrogen Transfer Reactions

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

Journal of the American Chemical Society ◽

10.1021/ja00528a008 ◽

1980 ◽

Vol 102 (8) ◽

pp. 2559-2570 ◽

Cited By ~ 43

Author(s):

Bruce C. Garrett ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Transition State Theory ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

State Theory ◽

Transfer Reactions ◽

Atom Transfer ◽

Variational Transition State Theory ◽

Kinetic Isotope ◽

Variational Transition State

ChemInform Abstract: VARIATIONAL TRANSITION STATE THEORY. PRIMARY KINETIC ISOTOPE EFFECTS FOR ATOM TRANSFER REACTIONS

Chemischer Informationsdienst ◽

10.1002/chin.198029123 ◽

1980 ◽

Vol 11 (29) ◽

Author(s):

B. C. GARRETT ◽

D. G. TRUHLAR

Keyword(s):

Transition State ◽

Transition State Theory ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

State Theory ◽

Transfer Reactions ◽

Atom Transfer ◽

Variational Transition State Theory ◽

Kinetic Isotope ◽

Variational Transition State

Determination of the Bottleneck Regions of Potential Energy Surfaces for Atom Transfer Reactions by Variational Transition State Theory

Potential Energy Surfaces and Dynamics Calculations ◽

10.1007/978-1-4757-1735-8_24 ◽

1981 ◽

pp. 587-637 ◽

Cited By ~ 15

Author(s):

Bruce C. Garrett ◽

Donald G. Truhlar ◽

Roger S. Grev

Keyword(s):

Potential Energy ◽

Transition State ◽

Potential Energy Surfaces ◽

Transition State Theory ◽

State Theory ◽

Transfer Reactions ◽

Variational Transition State Theory ◽

Energy Surfaces ◽

Variational Transition State

Critical tests of variational transition state theory and semiclassical tunneling methods for hydrogen and deuterium atom transfer reactions and use of the semiclassical calculations to interpret the overbarrier and tunneling dynamics

The Journal of Physical Chemistry ◽

10.1021/j100178a025 ◽

1991 ◽

Vol 95 (25) ◽

pp. 10374-10379 ◽

Cited By ~ 30

Author(s):

Bruce C. Garrett ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Transition State Theory ◽

Deuterium Atom ◽

State Theory ◽

Transfer Reactions ◽

Atom Transfer ◽

Variational Transition State Theory ◽

Tunneling Dynamics ◽

Semiclassical Tunneling ◽

Variational Transition State

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

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

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