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 journalArticle

16 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)111-124
Number of pages14
JournalSpringer Series in Chemical Physics
Volume61
StatePublished - 1996
Externally publishedYes

Fingerprint

Potential energy surfaces
hydrogen chlorides
photosynthesis
Photosynthesis
Hydrochloric Acid
potential energy
Rate constants
cross sections

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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.; Lynch, G. G.; Gordon, M. S.; Truhlar, D. G.

In: Springer Series in Chemical Physics, Vol. 61, 1996, p. 111-124.

Research output: Contribution to journalArticle

@article{1372b9aaf64241959e7329926c308ec1,
title = "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 = "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.",
author = "Allison, {T. C.} and Mielke, {S. L.} and Schwenke, {D. W.} and Lynch, {G. G.} and Gordon, {M. S.} and Truhlar, {D. G.}",
year = "1996",
language = "English (US)",
volume = "61",
pages = "111--124",
journal = "Springer Series in Chemical Physics",
issn = "0172-6218",
publisher = "Springer New York",

}

TY - JOUR

T1 - Die photochemische Bildung des Chlorwasserstoffs - Dynamics of Cl + H2 ⇌ HCl + H on a new potential energy surface

T2 - The photosynthesis of hydrogen chloride revisited 100 years after Max Bodenstein

AU - Allison, T. C.

AU - Mielke, S. L.

AU - Schwenke, D. W.

AU - Lynch, G. G.

AU - Gordon, M. S.

AU - Truhlar, D. G.

PY - 1996

Y1 - 1996

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=26944475605&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=26944475605&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:26944475605

VL - 61

SP - 111

EP - 124

JO - Springer Series in Chemical Physics

JF - Springer Series in Chemical Physics

SN - 0172-6218

ER -