Quantum reactive scattering calculations of cross sections and rate constants for the N(2D)+O2(X 3Σg−)→O(3P)+NO(X 2Π) reaction

Irene Miquel; Miguel González; R. Sayós; Gabriel G. Balint-Kurti; Stephen K. Gray; Evelyn M. Goldfield

doi:10.1063/1.1530575

Quantum reactive scattering calculations of cross sections and rate constants for the N(2D)+O2(X 3Σg−)→O(3P)+NO(X 2Π) reaction

The Journal of Chemical Physics ◽

10.1063/1.1530575 ◽

2003 ◽

Vol 118 (7) ◽

pp. 3111-3123 ◽

Cited By ~ 31

Author(s):

Irene Miquel ◽

Miguel González ◽

R. Sayós ◽

Gabriel G. Balint-Kurti ◽

Stephen K. Gray ◽

...

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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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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A comment on quantum reactive scattering via the S matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2→HD+H

The Journal of Chemical Physics ◽

10.1063/1.458313 ◽

1990 ◽

Vol 92 (10) ◽

pp. 6335-6336 ◽

Cited By ~ 7

Author(s):

M. Baer ◽

H. Kornweitz ◽

A. Persky

Keyword(s):

Variational Principle ◽

Cross Sections ◽

Reactive Scattering ◽

Matrix Version ◽

S Matrix ◽

Quantum Reactive Scattering

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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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Parallelization strategies for a reduced dimensionality calculation of quantum reactive scattering cross sections on a hypercube machine

High-Performance Computing and Networking - Lecture Notes in Computer Science ◽

10.1007/bfb0046681 ◽

1995 ◽

pp. 554-561 ◽

Cited By ~ 11

Author(s):

R. Baraglia ◽

D. Laforenza ◽

A. Laganà

Keyword(s):

Cross Sections ◽

Reactive Scattering ◽

Reduced Dimensionality ◽

Scattering Cross ◽

Scattering Cross Sections ◽

Quantum Reactive Scattering

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An improved quasiclassical trajectory method for state to state reactive scattering cross sections and rate constants

The Journal of Chemical Physics ◽

10.1063/1.447631 ◽

1984 ◽

Vol 81 (12) ◽

pp. 5786-5798 ◽

Cited By ~ 10

Author(s):

C. J. Ashton ◽

J. T. Muckerman ◽

F. E. Schubert

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Reactive Scattering ◽

Scattering Cross ◽

Trajectory Method ◽

Scattering Cross Sections

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CHAPTER 5. Rate Constants, Cross Sections and Reactive Scattering

Theoretical and Computational Chemistry Series - Theory of Molecular Collisions ◽

10.1039/9781782620198-00086 ◽

2015 ◽

pp. 86-97

Keyword(s):

Cross Sections ◽

Rate Constants ◽

Reactive Scattering

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Quantum reactive scattering via the S‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2 →HD+H

The Journal of Chemical Physics ◽

10.1063/1.457650 ◽

1989 ◽

Vol 91 (3) ◽

pp. 1528-1547 ◽

Cited By ~ 243

Author(s):

John Z. H. Zhang ◽

William H. Miller

Keyword(s):

Variational Principle ◽

Cross Sections ◽

Reactive Scattering ◽

Matrix Version ◽

S Matrix ◽

Quantum Reactive Scattering

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Quantum reactive scattering via the S-matrix version of the Kohn variational principle: Integral cross sections For H+H2(ν1=j1=0)→H2(ν2=1, j2= 1, 3) + H in the energy range Etotal = 0.9–1.4 eV

Chemical Physics Letters ◽

10.1016/0009-2614(88)85244-8 ◽

1988 ◽

Vol 153 (6) ◽

pp. 465-470 ◽

Cited By ~ 100

Author(s):

John Z.H. Zhang ◽

William H. Miller

Keyword(s):

Variational Principle ◽

Energy Range ◽

Cross Sections ◽

Reactive Scattering ◽

Matrix Version ◽

S Matrix ◽

Quantum Reactive Scattering

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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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Rb + CH3I: Empirically determined potential and predicted cross sections for reactive scattering

Chemical Physics Letters ◽

10.1016/0009-2614(72)80363-4 ◽

1972 ◽

Vol 15 (4) ◽

pp. 521-523 ◽

Cited By ~ 24

Author(s):

Don L. Bunker ◽

E. Anne Goring

Keyword(s):

Cross Sections ◽

Reactive Scattering

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