The Toeplitz approach to treating three-dimensional reactive exchange processes: Quantum mechanical cross sections and rate constants for the D+H2 and H+D2 reactions

David M. Charutz; Isidore Last; Michael Baer

doi:10.1063/1.473768

The Toeplitz approach to treating three-dimensional reactive exchange processes: Quantum mechanical cross sections and rate constants for the D+H2 and H+D2 reactions

The Journal of Chemical Physics ◽

10.1063/1.473768 ◽

1997 ◽

Vol 106 (18) ◽

pp. 7654-7661 ◽

Cited By ~ 22

Author(s):

David M. Charutz ◽

Isidore Last ◽

Michael Baer

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Three Dimensional ◽

Quantum Mechanical ◽

Exchange Processes

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Three dimensional quantum mechanical studies of D+H2 → HD+H reactive scattering. V. Cross sections and rate constants from the adiabatic T matrix theory

The Journal of Chemical Physics ◽

10.1063/1.445701 ◽

1983 ◽

Vol 79 (11) ◽

pp. 5376-5385 ◽

Cited By ~ 15

Author(s):

J. C. Sun ◽

B. H. Choi ◽

R. T. Poe ◽

K. T. Tang

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Matrix Theory ◽

Three Dimensional ◽

Quantum Mechanical ◽

Reactive Scattering ◽

T Matrix ◽

Mechanical Studies

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Three‐dimensional quantum mechanical studies of D+H2→HD+H reactive scattering. IV. Cross sections and rate constants with rotationally excited target molecules

The Journal of Chemical Physics ◽

10.1063/1.440146 ◽

1980 ◽

Vol 73 (12) ◽

pp. 6095-6107 ◽

Cited By ~ 26

Author(s):

J. C. Sun ◽

B. H. Choi ◽

R. T. Poe ◽

K. T. Tang

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Three Dimensional ◽

Quantum Mechanical ◽

Reactive Scattering ◽

Target Molecules ◽

Mechanical Studies

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Cross Sections and Rate Constants for Triatomic and Tetraatomic Reactions: Three-Dimensional Quantum Mechanical Calculations

Gas Phase Chemical Reaction Systems - Springer Series in Chemical Physics ◽

10.1007/978-3-642-80299-7_9 ◽

1996 ◽

pp. 125-143

Author(s):

M. Baer ◽

H. Szichman ◽

E. Rosenman ◽

S. Hochman-Kowal ◽

A. Persky

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Three Dimensional ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations

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Cross Sections and Rate-Constants for the F + X2(.nu.=0,j) .fwdarw. XF + X; X = H, D Reactions: A Three-Dimensional Quantum Mechanical Calculation

The Journal of Physical Chemistry ◽

10.1021/j100045a007 ◽

1995 ◽

Vol 99 (45) ◽

pp. 16523-16526 ◽

Cited By ~ 19

Author(s):

Efrat Rosenman ◽

Sipora Hochman-Kowal ◽

Avigdor Persky ◽

Michael Baer

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Three Dimensional ◽

Quantum Mechanical Calculation ◽

Quantum Mechanical ◽

Mechanical Calculation

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Quantum mechanical integral cross sections and rate constants for the F+HD reactions

The Journal of Chemical Physics ◽

10.1063/1.481618 ◽

2000 ◽

Vol 112 (22) ◽

pp. 9802-9809 ◽

Cited By ~ 50

Author(s):

Dong H. Zhang ◽

Soo-Y. Lee ◽

Michael Baer

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Quantum Mechanical

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A three‐dimensional quantum mechanical study of the H2+H+2 system: Calculation of reactive and charge transfer cross sections

The Journal of Chemical Physics ◽

10.1063/1.459359 ◽

1990 ◽

Vol 93 (11) ◽

pp. 7787-7799 ◽

Cited By ~ 27

Author(s):

Michael Baer ◽

Cheuk Y. Ng

Keyword(s):

Charge Transfer ◽

Cross Sections ◽

Three Dimensional ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

System Calculation

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Three-dimensional study of reactive diatom-diatom systems: quantum mechanical state-to-state cross sections for the hydrogen-hydroxyl H2 + OX .fwdarw. H + XOH (X = H, D) reactions

The Journal of Physical Chemistry ◽

10.1021/j100054a018 ◽

1994 ◽

Vol 98 (3) ◽

pp. 828-836 ◽

Cited By ~ 26

Author(s):

H. Szichman ◽

I. Last ◽

M. Baer

Keyword(s):

Cross Sections ◽

Three Dimensional ◽

Quantum Mechanical ◽

Mechanical State ◽

Quantum Mechanical State

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Quantum mechanical reactive scattering for three‐dimensional atom plus diatom systems. II. Accurate cross sections for H+H2

The Journal of Chemical Physics ◽

10.1063/1.432919 ◽

1976 ◽

Vol 65 (11) ◽

pp. 4668-4692 ◽

Cited By ~ 304

Author(s):

George C. Schatz ◽

Aron Kuppermann

Keyword(s):

Cross Sections ◽

Three Dimensional ◽

Quantum Mechanical ◽

Reactive Scattering

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Three‐dimensional quantum mechanical rate constants for the reaction O+O3→2O2, employing a six‐dimensional potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.468584 ◽

1995 ◽

Vol 102 (8) ◽

pp. 3474-3476 ◽

Cited By ~ 28

Author(s):

H. Szichman ◽

A. J. C. Varandas ◽

M. Baer

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Rate Constants ◽

Energy Surface ◽

Three Dimensional ◽

Quantum Mechanical

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Comparison of semiclassical and quantum-mechanical cross sections and rate constants for CO2(0110) + M → CO2(000O) + M (M = He, Ne)

Chemical Physics Letters ◽

10.1016/0009-2614(82)83318-6 ◽

1982 ◽

Vol 90 (1) ◽

pp. 27-30 ◽

Cited By ~ 20

Author(s):

Gert Due Billing ◽

D.C. Clary

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Quantum Mechanical

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