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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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2
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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3
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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4
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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5
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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6
Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+H
Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+H
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Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+H

HAUG, K ; SCHWENKE, D. W ; TRUHLAR, D. G ; ZHANG, Y ; ZHANG, J. Z. H ; KOURI, D. J

The Journal of chemical physics, 1987-08, Vol.87 (3), p.1892-1894 [Periódico revisado por pares]

Woodbury, NY: American Institute of Physics

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7
Wave packet study of gas phase atom-rigid rotor scattering
Wave packet study of gas phase atom-rigid rotor scattering
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Wave packet study of gas phase atom-rigid rotor scattering

YAN SUN ; KOURI, D. J

The Journal of chemical physics, 1988-09, Vol.89 (5), p.2958-2964 [Periódico revisado por pares]

Woodbury, NY: American Institute of Physics

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8
Converged quantum dynamics calculations for the F + H2 reaction on the well-studied M5 potential-energy surface
Converged quantum dynamics calculations for the F + H2 reaction on the well-studied M5 potential-energy surface
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Converged quantum dynamics calculations for the F + H2 reaction on the well-studied M5 potential-energy surface

Yu, Chin-Hui ; Sun, Yan ; Kouri, Donald J. ; Halvick, Philippe ; Truhlar, Donald G. ; Schwenke, David W.

The Journal of chemical physics, 1989-06, Vol.90 (12), p.7608-7609 [Periódico revisado por pares]

Legacy CDMS: American Institute of Physics

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9
Quantum mechanical interference effects on vibrational excitation in the reaction D+H2→HD+H: delay times and dependence of the vibrational enhancement on angular momentum
Quantum mechanical interference effects on vibrational excitation in the reaction D+H2→HD+H: delay times and dependence of the vibrational enhancement on angular momentum
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Quantum mechanical interference effects on vibrational excitation in the reaction D+H2→HD+H: delay times and dependence of the vibrational enhancement on angular momentum

MEISHAN ZHAO ; TRUHLAR, D. G ; KOURI, D. J ; AN SUN ; SCHWENKE, D. W

Chemical physics letters, 1989-03, Vol.156 (2-3), p.281-288 [Periódico revisado por pares]

Amsterdam: Elsevier Science

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10
Comparison of quasiclassical trajectory calculations to accurate quantum mechanics for state-to-state partial cross sections at low total angular momentum for the reaction D+H2→HD+H
Comparison of quasiclassical trajectory calculations to accurate quantum mechanics for state-to-state partial cross sections at low total angular momentum for the reaction D+H2→HD+H
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Comparison of quasiclassical trajectory calculations to accurate quantum mechanics for state-to-state partial cross sections at low total angular momentum for the reaction D+H2→HD+H

BLAIS, N. C ; MEISHAN ZHAO ; MLADENOVIC, M ; TRUHLAR, D. G ; SCHWENKE, D. W ; YAN SUN ; KOURI, D. J

The Journal of chemical physics, 1989-07, Vol.91 (2), p.1038-1042 [Periódico revisado por pares]

Woodbury, NY: American Institute of Physics

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