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1 |
Material Type: Artigo
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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 equationsHuang, 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.VTexto completo disponível |
2 |
Material Type: Artigo
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A model study of symmetric light atom transfer reactionsPollak, Eli ; Baer, Michael ; Abu-Salbi, Najib ; Kouri, Donald J.Chemical physics, 1985-10, Vol.99 (1), p.15-33 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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A study of the quantal time delay matrix in collinear reactive scatteringABU-SALBI, N ; KOURI, D. J ; BAER, M ; POLLAK, EThe Journal of chemical physics, 1985-01, Vol.82 (10), p.4500-4508 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Accurate quantum mechanical reaction probabilities for the reaction O+H2→OH+HHAUG, K ; SCHWENKE, D. W ; TRUHLAR, D. G ; ZHANG, Y ; ZHANG, J. Z. H ; KOURI, D. JThe Journal of chemical physics, 1987-08, Vol.87 (3), p.1892-1894 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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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+HBLAIS, N. C ; MEISHAN ZHAO ; MLADENOVIC, M ; TRUHLAR, D. G ; SCHWENKE, D. W ; YAN SUN ; KOURI, D. JThe Journal of chemical physics, 1989-07, Vol.91 (2), p.1038-1042 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
6 |
Material Type: Artigo
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Converged quantum dynamics calculations for the F + H2 reaction on the well-studied M5 potential-energy surfaceYu, 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 PhysicsTexto completo disponível |
7 |
Material Type: Artigo
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Distributed Approximating Function Approach to Atom-Diatom Reactive Scattering: Time-Dependent and Time-Independent Wavepacket TreatmentsHuang, Youhong ; Zhu, Wei ; Kouri, Donald J ; Hoffman, David KJournal of physical chemistry (1952), 1994-02, Vol.98 (7), p.1868-1874 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
8 |
Material Type: Artigo
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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 momentumMEISHAN ZHAO ; TRUHLAR, D. G ; KOURI, D. J ; AN SUN ; SCHWENKE, D. WChemical physics letters, 1989-03, Vol.156 (2-3), p.281-288 [Periódico revisado por pares]Amsterdam: Elsevier ScienceTexto completo disponível |
9 |
Material Type: Artigo
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Storage management strategies in large-scale quantum dynamics calculationsSCHWENKE, D. W ; HAUG, K ; TRUHLAR, D. G ; SCHWEITZER, R. H ; ZHANG, J. Z. H ; YAN SUN ; KOURI, D. JTheoretica Chimica Acta, 1987-11, Vol.72 (4), p.237-251 [Periódico revisado por pares]Heidelberg: SpringerTexto completo disponível |
10 |
Material Type: Artigo
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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 stateGARRETT, B. C ; ABUSALBI, N ; KOURI, D. J ; TRUHLAR, D. GThe Journal of chemical physics, 1985-01, Vol.83 (5), p.2252-2258 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |