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Volumn 112, Issue 19, 2000, Pages 8387-8408

Quantized dynamical bottlenecks and transition state control of the reaction of D with H2: Effect of varying the total angular momentum

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EID: 0001429629     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481443     Document Type: Article
Times cited : (41)

References (115)
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    • note
    • Initial versions of some panels in Figs. 7, 8, and 9 contained narrow oscillations which were computational artifacts, due to incomplete convergence of selected state-to-state transition probabilities when the total energy nearly coincides with the opening of a new channel. These could in principle be avoided by an especially careful convergence protocol, but here the problematic data were deleted before spline fitting to obtain the DORS or state-selected DORS. The omitted energies follow. For Fig. 7, the JPS = 6+ + DORS panel, 0.70, 0.82, 0.93, and 1.03 eV. For Fig. 8(b), v = 0, and Fig. 9, left JPS = 3 - + panels, 1.16 eV. For Fig. 8(c), v = 0 and v′ = 0 and Fig. 9, JPS = 9 - + panels, 1.22 eV. For Fig. 9, left JPS = 6+ + panel, 0.93 eV. For Fig. 9, right JPS = 6+ + panel, 0.70, 0.82, 0.93, 1.03, and 1.09 eV.
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    • D. Wang and J. M. Bowman, J. Phys. Chem. 98, 7994 (1994); J. M. Bowman and H. M. Shnider, J. Chem. Phys. 110, 4428 (1999).
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    • Wang, D.1    Bowman, J.M.2
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    • D. Wang and J. M. Bowman, J. Phys. Chem. 98, 7994 (1994); J. M. Bowman and H. M. Shnider, J. Chem. Phys. 110, 4428 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 4428
    • Bowman, J.M.1    Shnider, H.M.2
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    • R. A. Marcus, Discuss. Faraday Soc. 44, 7 (1967); 44, 87 (1967); 44, 88 (1967).
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