Quantum reactive scattering: Diabatic approach to the dynamics of chemical reactions

Seokmin Shin; John C. Light

doi:10.1063/1.467598

Quantum reactive scattering: Diabatic approach to the dynamics of chemical reactions

The Journal of Chemical Physics ◽

10.1063/1.467598 ◽

1994 ◽

Vol 101 (4) ◽

pp. 2836-2849 ◽

Cited By ~ 12

Author(s):

Seokmin Shin ◽

John C. Light

Keyword(s):

Chemical Reactions ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Quantum reactive scattering via the log derivative version of the Kohn variational principle: General theory for bimolecular chemical reactions

The Journal of Chemical Physics ◽

10.1063/1.457428 ◽

1989 ◽

Vol 91 (10) ◽

pp. 6096-6102 ◽

Cited By ~ 68

Author(s):

David E. Manolopoulos ◽

Michael D’Mello ◽

Robert E. Wyatt

Keyword(s):

Variational Principle ◽

General Theory ◽

Chemical Reactions ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O→H2+OH abstraction reaction

The Journal of Chemical Physics ◽

10.1063/1.2217439 ◽

2006 ◽

Vol 125 (13) ◽

pp. 133102 ◽

Cited By ~ 53

Author(s):

Dong H. Zhang

Keyword(s):

Differential Cross Section ◽

Cross Section ◽

Chemical Reactions ◽

Differential Cross ◽

Reactive Scattering ◽

Abstraction Reaction ◽

Quantum Reactive Scattering

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Quantum reactive scattering studies of the CN + H2 → HCN + H reaction: the role of the non-reactive CN bond

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01444-3 ◽

1997 ◽

Vol 265 (3-5) ◽

pp. 410-417 ◽

Cited By ~ 16

Author(s):

Toshiyuki Takayanagi ◽

George C. Schatz

Keyword(s):

Reactive Scattering ◽

Quantum Reactive Scattering

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Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2(v=4-8,j=0) → H + H2(v′,j′)

Chemical Physics ◽

10.1016/j.chemphys.2018.07.001 ◽

2018 ◽

Vol 515 ◽

pp. 387-399 ◽

Cited By ~ 4

Author(s):

Brian K. Kendrick

Keyword(s):

Exchange Reaction ◽

Hydrogen Exchange ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O2reaction and bound state characterization for HO2

The Journal of Chemical Physics ◽

10.1063/1.467551 ◽

1994 ◽

Vol 101 (5) ◽

pp. 3671-3678 ◽

Cited By ~ 208

Author(s):

Dong H. Zhang ◽

John Z. H. Zhang

Keyword(s):

Bound State ◽

Time Dependent ◽

Reactive Scattering ◽

Deep Well ◽

Quantum Reactive Scattering

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Non-adiabatic quantum reactive scattering in hyperspherical coordinates

The Journal of Chemical Physics ◽

10.1063/1.5014989 ◽

2018 ◽

Vol 148 (4) ◽

pp. 044116 ◽

Cited By ~ 17

Author(s):

Brian K. Kendrick

Keyword(s):

Reactive Scattering ◽

Hyperspherical Coordinates ◽

Quantum Reactive Scattering

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Reduced dimensionality theory of quantum reactive scattering

The Journal of Physical Chemistry ◽

10.1021/j100166a014 ◽

1991 ◽

Vol 95 (13) ◽

pp. 4960-4968 ◽

Cited By ~ 330

Author(s):

Joel M. Bowman

Keyword(s):

Reactive Scattering ◽

Reduced Dimensionality ◽

Dimensionality Theory ◽

Quantum Reactive Scattering

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Progress of basis optimization techniques in variational calculation of quantum reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.460442 ◽

1991 ◽

Vol 94 (9) ◽

pp. 6047-6054 ◽

Cited By ~ 31

Author(s):

John Z. H. Zhang

Keyword(s):

Variational Calculation ◽

Optimization Techniques ◽

Reactive Scattering ◽

Quantum Reactive Scattering

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A three dimensional quantum reactive scattering study of the I+HI reaction and of the IHI− photodetachment spectrum

The Journal of Chemical Physics ◽

10.1063/1.456578 ◽

1989 ◽

Vol 90 (9) ◽

pp. 4847-4854 ◽

Cited By ~ 40

Author(s):

George C. Schatz

Keyword(s):

Three Dimensional ◽

Reactive Scattering ◽

Scattering Study ◽

Photodetachment Spectrum ◽

Quantum Reactive Scattering

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Multilevel adaptive technique for quantum reactive scattering

The Journal of Chemical Physics ◽

10.1063/1.452865 ◽

1987 ◽

Vol 87 (8) ◽

pp. 4519-4531 ◽

Cited By ~ 17

Author(s):

Csilla Duneczky ◽

Robert E. Wyatt

Keyword(s):

Reactive Scattering ◽

Adaptive Technique ◽

Quantum Reactive Scattering

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Quantum reactive scattering: Diabatic approach to the dynamics of chemical reactions

Quantum reactive scattering via the log derivative version of the Kohn variational principle: General theory for bimolecular chemical reactions

State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O→H2+OH abstraction reaction

Quantum reactive scattering studies of the CN + H2 → HCN + H reaction: the role of the non-reactive CN bond

Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2(v=4-8,j=0) → H + H2(v′,j′)

Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O2reaction and bound state characterization for HO2

Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Reduced dimensionality theory of quantum reactive scattering

Progress of basis optimization techniques in variational calculation of quantum reactive scattering

A three dimensional quantum reactive scattering study of the I+HI reaction and of the IHI− photodetachment spectrum

Multilevel adaptive technique for quantum reactive scattering

Non-adiabatic quantum reactive scattering calculations for the ultracold hydrogen exchange reaction: H + H2(v=4-8,j=0) → H + H2(v′,j′)