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Time dependent three-dimensional body frame quantal wave packet treatment of the H + H2 exchange reaction on the Liu-Siegbahn-Truhlar-Horowitz (LSTH) surface
Time dependent three-dimensional body frame quantal wave packet treatment of the H + H2 exchange reaction on the Liu-Siegbahn-Truhlar-Horowitz (LSTH) surface
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Time dependent three-dimensional body frame quantal wave packet treatment of the H + H2 exchange reaction on the Liu-Siegbahn-Truhlar-Horowitz (LSTH) surface

Neuhauser, Daniel ; Baer, Michael ; Judson, Richard S. ; Kouri, Donald J.

The Journal of chemical physics, 1989-05, Vol.90 (10), p.5882-5884 [Periódico revisado por pares]

Legacy CDMS: American Institute of Physics

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Quantum-mechanical dynamics and quasiclassical trajectories for comparison to stimulated Raman pumping measurements of the high-energy state-to-state reaction dynamics of D+H2(v=j=1)→HD(v'=1,j')+H
Quantum-mechanical dynamics and quasiclassical trajectories for comparison to stimulated Raman pumping measurements of the high-energy state-to-state reaction dynamics of D+H2(v=j=1)→HD(v'=1,j')+H
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Quantum-mechanical dynamics and quasiclassical trajectories for comparison to stimulated Raman pumping measurements of the high-energy state-to-state reaction dynamics of D+H2(v=j=1)→HD(v'=1,j')+H

BLAIS, N. C ; MEISHAN ZHAO ; TRUHLAR, D. G ; SCHWENKE, D. W ; KOURI, D. J

Chemical physics letters, 1990-02, Vol.166 (1), p.11-19 [Periódico revisado por pares]

Amsterdam: Elsevier Science

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3
Comparison of classical simulations of the H + H2 reaction to accurate quantum mechanical state-to-state partial cross sections with total angular momenta J = 0-4 and to experiment for all J
Comparison of classical simulations of the H + H2 reaction to accurate quantum mechanical state-to-state partial cross sections with total angular momenta J = 0-4 and to experiment for all J
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Comparison of classical simulations of the H + H2 reaction to accurate quantum mechanical state-to-state partial cross sections with total angular momenta J = 0-4 and to experiment for all J

Zhao, Meishan ; Mladenovic, Mirjana ; Truhlar, Donald G ; Schwenke, David W ; Sun, Yan ; Kouri, Donald J ; Blais, Normand C

Journal of the American Chemical Society, 1989-02, Vol.111 (3), p.852-859 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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4
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
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Variational basis-set calculations of accurate quantum mechanical reaction probabilities

Schwenke, David W ; Haug, Kenneth ; Truhlar, Donald G ; Sun, Yan ; Zhang, John Z. H ; Kouri, Donald J

Journal of physical chemistry (1952), 1987-11, Vol.91 (24), p.6080-6082 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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5
Distributed Approximating Function Approach to Atom-Diatom Reactive Scattering: Time-Dependent and Time-Independent Wavepacket Treatments
Distributed Approximating Function Approach to Atom-Diatom Reactive Scattering: Time-Dependent and Time-Independent Wavepacket Treatments
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Distributed Approximating Function Approach to Atom-Diatom Reactive Scattering: Time-Dependent and Time-Independent Wavepacket Treatments

Huang, Youhong ; Zhu, Wei ; Kouri, Donald J ; Hoffman, David K

Journal of physical chemistry (1952), 1994-02, Vol.98 (7), p.1868-1874 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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6
A general, energy-separable polynomial representation of the time-independent full Green operator with application to time-independent wavepacket forms of Schrödinger and Lippmann—Schwinger equations
A general, energy-separable polynomial representation of the time-independent full Green operator with application to time-independent wavepacket forms of Schrödinger and Lippmann—Schwinger equations
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A general, energy-separable polynomial representation of the time-independent full Green operator with application to time-independent wavepacket forms of Schrödinger and Lippmann—Schwinger equations

Huang, Youhong ; Kouri, Donald J. ; Hoffman, David K.

Chemical physics letters, 1994-07, Vol.225 (1), p.37-45 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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7
A time-dependent wave packet approach to atom-diatom reactive collision probabilities - Theory and application to the H + H2(J = 0) system
A time-dependent wave packet approach to atom-diatom reactive collision probabilities - Theory and application to the H + H2(J = 0) system
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A time-dependent wave packet approach to atom-diatom reactive collision probabilities - Theory and application to the H + H2(J = 0) system

Neuhauser, Daniel ; Baer, Michael ; Judson, Richard S. ; Kouri, Donald J.

The Journal of chemical physics, 1990-07, Vol.93 (1), p.312-322 [Periódico revisado por pares]

Legacy CDMS: American Institute of Physics

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8
The application of optical potentials for reactive scattering - A case study
The application of optical potentials for reactive scattering - A case study
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The application of optical potentials for reactive scattering - A case study

Neuhauser, Daniel ; Baer, Michael ; Kouri, Donald J.

The Journal of chemical physics, 1990-08, Vol.93 (4), p.2499-2505 [Periódico revisado por pares]

Legacy CDMS: American Institute of Physics

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9
Total integral reactive cross sections for F+H2→HF+H : comparison of converged quantum, quasiclassical trajectory and experimental results
Total integral reactive cross sections for F+H2→HF+H : comparison of converged quantum, quasiclassical trajectory and experimental results
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Total integral reactive cross sections for F+H2→HF+H : comparison of converged quantum, quasiclassical trajectory and experimental results

NEUHAUSER, D ; JUDSON, R. S ; JAFFE, R. L ; BAER, M ; KOURI, D. J

Chemical physics letters, 1991-02, Vol.176 (6), p.546-550 [Periódico revisado por pares]

Amsterdam: Elsevier Science

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10
Test of variational transition state theory and the least-action approximation for multidimensional tunneling probabilities against accurate quantal rate constants for a collinear reaction involving tunneling into an excited state
Test of variational transition state theory and the least-action approximation for multidimensional tunneling probabilities against accurate quantal rate constants for a collinear reaction involving tunneling into an excited state
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Test of variational transition state theory and the least-action approximation for multidimensional tunneling probabilities against accurate quantal rate constants for a collinear reaction involving tunneling into an excited state

GARRETT, B. C ; ABUSALBI, N ; KOURI, D. J ; TRUHLAR, D. G

The Journal of chemical physics, 1985-01, Vol.83 (5), p.2252-2258 [Periódico revisado por pares]

Woodbury, NY: American Institute of Physics

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