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

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

16 Scopus citations

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
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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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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AB - 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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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

Abstract

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