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

H. R. Mayne; J. C. Polanyi; N. Sathyamurthy; S. Raynor

doi:10.1021/j150662a042

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 ◽

Cited By ~ 32

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 ◽

State Theory

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 ◽

Cited By ~ 50

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 ◽

State Theory

Generalized transition state theory and least-action tunneling calculations for the reaction rates of atomic hydrogen(deuterium) + molecular hydrogen(n = 1) .fwdarw. molecular hydrogen(hydrogen deuteride) + atomic hydrogen

The Journal of Physical Chemistry ◽

10.1021/j100257a014 ◽

1985 ◽

Vol 89 (11) ◽

pp. 2204-2208 ◽

Cited By ~ 30

Author(s):

Bruce C. Garrett ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Atomic Hydrogen ◽

Molecular Hydrogen ◽

Transition State Theory ◽

Reaction Rates ◽

State Theory ◽

Hydrogen Deuteride ◽

Least Action ◽

Hydrogen Deuterium

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

ChemInform Abstract: COMPOSITION OF TRAJECTORY CALCULATIONS, TRANSITION STATE THEORY, QUANTUM MECHANICAL REACTION PROBABILITIES, AND RATE CONSTANTS FOR THE COLLINEAR REACTION ATOMIC HYDROGEN + MOLECULAR CHLORINE → HYDROCHLORIC ACID + ATOMIC CHLORINE

Chemischer Informationsdienst ◽

10.1002/chin.197705037 ◽

1977 ◽

Vol 8 (5) ◽

pp. no-no

Author(s):

D. G. TRUHLAR ◽

J. A. MERRICK ◽

J. W. DUFF

Keyword(s):

Hydrochloric Acid ◽

Transition State ◽

Rate Constants ◽

Atomic Hydrogen ◽

Transition State Theory ◽

State Theory ◽

Quantum Mechanical ◽

Molecular Chlorine ◽

Trajectory Calculations ◽

Atomic Chlorine

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 ◽

Cited By ~ 41

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

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 ◽

State Theory

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 ◽

Cited By ~ 2

Author(s):

Yujun Zheng

Keyword(s):

Transition State ◽

Transition State Theory ◽

Three Dimensional ◽

State Theory ◽

Quantum Transition

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 ◽

Cited By ~ 6

Author(s):

Robert J. Frost ◽

Ian W.M. Smith

Keyword(s):

Transition State ◽

Transition State Theory ◽

Three Dimensional ◽

State Theory ◽

Trajectory Calculations

Applications of power-law transition state theory to the reaction of a hydroxyl radical with molecular hydrogen and the respiration in Camellia Japonica

Physica A Statistical Mechanics and its Applications ◽

10.1016/j.physa.2014.09.048 ◽

2015 ◽

Vol 417 ◽

pp. 267-272 ◽

Cited By ~ 4

Author(s):

Yanjun Zhou ◽

Cangtao Yin

Keyword(s):

Transition State ◽

Hydroxyl Radical ◽

Power Law ◽

Molecular Hydrogen ◽

Transition State Theory ◽

State Theory ◽

Camellia Japonica

The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations

Computational Science and Its Applications – ICCSA 2019 - Lecture Notes in Computer Science ◽

10.1007/978-3-030-24311-1_33 ◽

2019 ◽

pp. 450-459 ◽

Cited By ~ 1

Author(s):

Valter H. Carvalho-Silva ◽

Eduardo C. Vaz ◽

Nayara D. Coutinho ◽

Hikaru Kobayashi ◽

Yuki Kobayashi ◽

...

Keyword(s):

Quantum Chemistry ◽

Transition State ◽

Hydroxyl Radical ◽

Gas Phase ◽

Molecular Hydrogen ◽

Transition State Theory ◽

State Theory ◽

Aqueous Environment ◽

Phase Versus