The use of transition-state theory to extrapolate rate coefficients for reactions of H atoms with alkanes

N. Cohen

doi:10.1002/kin.550230804

The use of transition-state theory to extrapolate rate coefficients for reactions of H atoms with alkanes

International Journal of Chemical Kinetics ◽

10.1002/kin.550230804 ◽

1991 ◽

Vol 23 (8) ◽

pp. 683-700 ◽

Cited By ~ 32

Author(s):

N. Cohen

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients

Download Full-text

ChemInform Abstract: The Use of Transition-State Theory to Extrapolate Rate Coefficients for Reactions of O Atoms with Alkanes.

Chemischer Informationsdienst ◽

10.1002/chin.198638116 ◽

1986 ◽

Vol 17 (38) ◽

Author(s):

N. COHEN ◽

K. R. WESTBERG

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients

Download Full-text

Are reaction rate coefficients additive? Revised transition state theory calculations for OH + alkane reactions

International Journal of Chemical Kinetics ◽

10.1002/kin.550230506 ◽

1991 ◽

Vol 23 (5) ◽

pp. 397-417 ◽

Cited By ~ 78

Author(s):

N. Cohen

Keyword(s):

Transition State ◽

Transition State Theory ◽

Reaction Rate ◽

State Theory ◽

Rate Coefficients

Download Full-text

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 ◽

Cited By ~ 27

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

Download Full-text

Test of variational transition state theory with a large‐curvature tunneling approximation against accurate quantal reaction probabilities and rate coefficients for three collinear reactions with large reaction‐path curvature: Cl+HCl, Cl+DCl, and Cl+MuCl

The Journal of Chemical Physics ◽

10.1063/1.444613 ◽

1983 ◽

Vol 78 (10) ◽

pp. 5981-5989 ◽

Cited By ~ 70

Author(s):

D. K. Bondi ◽

J. N. L. Connor ◽

Bruce C. Garrett ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Transition State Theory ◽

Reaction Path ◽

State Theory ◽

Rate Coefficients ◽

Variational Transition State Theory ◽

Large Curvature ◽

Path Curvature ◽

Variational Transition State

Download Full-text

An Application of Conventional Transition State Theory To Compute High-Pressure Limit Thermal Rate Coefficients for the Reaction: H(D) + O2 .dblharw. H(D)O*2 .dblharw. OH(D) + O

The Journal of Physical Chemistry ◽

10.1021/j100093a020 ◽

1994 ◽

Vol 98 (42) ◽

pp. 10794-10801 ◽

Cited By ~ 6

Author(s):

Ronald J. Duchovic ◽

J. David Pettigrew

Keyword(s):

High Pressure ◽

Transition State ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients ◽

Pressure Limit

Download Full-text

The use of transition-state theory to extrapolate rate coefficients for reactions of oh with alkanes

International Journal of Chemical Kinetics ◽

10.1002/kin.550141206 ◽

1982 ◽

Vol 14 (12) ◽

pp. 1339-1362 ◽

Cited By ~ 68

Author(s):

N. Cohen

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients

Download Full-text

Microcanonical Transition State Theory Rate Coefficients from Thermal Rate Constants via Inverse Laplace Transformation

The Journal of Physical Chemistry A ◽

10.1021/jp9813443 ◽

1998 ◽

Vol 102 (42) ◽

pp. 8104-8115 ◽

Cited By ~ 1

Author(s):

Prasana K. Venkatesh ◽

Robert W. Carr ◽

Morrel H. Cohen ◽

Anthony M. Dean

Keyword(s):

Transition State ◽

Rate Constants ◽

Laplace Transformation ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients ◽

Inverse Laplace Transformation ◽

Thermal Rate Constants

Download Full-text

Predicting the preexponential temperature dependence of bimolecular metathesis reaction rate coefficients using transition state theory

International Journal of Chemical Kinetics ◽

10.1002/kin.550211004 ◽

1989 ◽

Vol 21 (10) ◽

pp. 909-922 ◽

Cited By ~ 11

Author(s):

N. Cohen

Keyword(s):

Transition State ◽

Temperature Dependence ◽

Transition State Theory ◽

Reaction Rate ◽

State Theory ◽

Rate Coefficients ◽

Metathesis Reaction

Download Full-text

Rate coefficients of the CF3CHFCF3+ H → CF3CFCF3+ H2reaction at different temperatures calculated by transition state theory withab initioand DFT reaction paths

Journal of Computational Chemistry ◽

10.1002/jcc.23163 ◽

2012 ◽

Vol 34 (7) ◽

pp. 545-557 ◽

Cited By ~ 15

Author(s):

Maggie Ng ◽

Daniel K. W. Mok ◽

Edmond P. F. Lee ◽

John M. Dyke

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients ◽

Reaction Paths ◽

Different Temperatures

Download Full-text

The use of transition-state theory to extrapolate rate coefficients for reactions of O atoms with alkanes

International Journal of Chemical Kinetics ◽

10.1002/kin.550180109 ◽

1986 ◽

Vol 18 (1) ◽

pp. 99-140 ◽

Cited By ~ 50

Author(s):

N. Cohen ◽

K. R. Westberg

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Rate Coefficients

Download Full-text