Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein

T. C. Allison; S. L. Mielke; D. W. Schwenke; G. G. Lynch; M. S. Gordon; D. G. Truhlar

doi:10.1007/978-3-642-80299-7_8

Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein

T. C. Allison, S. L. Mielke, D. W. Schwenke, G. G. Lynch, M. S. Gordon, D. G. Truhlar

Chemistry (Twin Cities)

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Abstract

In this contribution, we present a preliminary account of our recent work on the Cl + H₂ and Cl + D₂ reactions, which includes a new potential energy surface, variational transition state theory and semiclassical tunneling calculations for both reactions and for other isotopomeric cases, and accurate quantum dynamical calculations of rate constants and state-to-state integral and differential cross sections.

Original language	English (US)
Pages (from-to)	111-124
Number of pages	14
Journal	Springer Series in Chemical Physics
Volume	61
DOIs	https://doi.org/10.1007/978-3-642-80299-7_8
State	Published - 1996

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10.1007/978-3-642-80299-7_8

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Allison, T. C., Mielke, S. L., Schwenke, D. W., Lynch, G. G., Gordon, M. S., & Truhlar, D. G. (1996). Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein. Springer Series in Chemical Physics, 61, 111-124. https://doi.org/10.1007/978-3-642-80299-7_8

Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein. / Allison, T. C.; Mielke, S. L.; Schwenke, D. W. et al.
In: Springer Series in Chemical Physics, Vol. 61, 1996, p. 111-124.

Research output: Contribution to journal › Article › peer-review

Allison, TC, Mielke, SL, Schwenke, DW, Lynch, GG, Gordon, MS & Truhlar, DG 1996, 'Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein', Springer Series in Chemical Physics, vol. 61, pp. 111-124. https://doi.org/10.1007/978-3-642-80299-7_8

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abstract = "In this contribution, we present a preliminary account of our recent work on the Cl + H2 and Cl + D2 reactions, which includes a new potential energy surface, variational transition state theory and semiclassical tunneling calculations for both reactions and for other isotopomeric cases, and accurate quantum dynamical calculations of rate constants and state-to-state integral and differential cross sections.",

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AU - Truhlar, D. G.

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Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface: The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein

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