Accurate quantum probabilities and threshold behavior of the H+O 2 combustion reaction

Russell T. Pack; Eric A. Butcher; Gregory A. Parker

doi:10.1063/1.465548

Accurate quantum probabilities and threshold behavior of the H+O ₂ combustion reaction

Russell T. Pack
, Eric A. Butcher
, Gregory A. Parker

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

96 Scopus citations

Abstract

We report accurate 3D quantum reaction probabilities for the H+O ₂ combustion reaction and find that they are resonance dominated and rise linearly above threshold. The reaction probability is not enhanced by vibrational or rotational excitation of the reactants but does increase above the threshold for vibrationally excited products.

Original language	English (US)
Pages (from-to)	9310-9313
Number of pages	4
Journal	The Journal of chemical physics
Volume	99
Issue number	11
DOIs	https://doi.org/10.1063/1.465548
State	Published - 1993
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.465548

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title = "Accurate quantum probabilities and threshold behavior of the H+O 2 combustion reaction",

abstract = "We report accurate 3D quantum reaction probabilities for the H+O 2 combustion reaction and find that they are resonance dominated and rise linearly above threshold. The reaction probability is not enhanced by vibrational or rotational excitation of the reactants but does increase above the threshold for vibrationally excited products.",

author = "Pack, \{Russell T.\} and Butcher, \{Eric A.\} and Parker, \{Gregory A.\}",

year = "1993",

doi = "10.1063/1.465548",

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journal = "The Journal of chemical physics",

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publisher = "American Institute of Physics",

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T1 - Accurate quantum probabilities and threshold behavior of the H+O 2 combustion reaction

AU - Pack, Russell T.

AU - Butcher, Eric A.

AU - Parker, Gregory A.

PY - 1993

Y1 - 1993

N2 - We report accurate 3D quantum reaction probabilities for the H+O 2 combustion reaction and find that they are resonance dominated and rise linearly above threshold. The reaction probability is not enhanced by vibrational or rotational excitation of the reactants but does increase above the threshold for vibrationally excited products.

AB - We report accurate 3D quantum reaction probabilities for the H+O 2 combustion reaction and find that they are resonance dominated and rise linearly above threshold. The reaction probability is not enhanced by vibrational or rotational excitation of the reactants but does increase above the threshold for vibrationally excited products.

UR - https://www.scopus.com/pages/publications/0001124107

UR - https://www.scopus.com/pages/publications/0001124107#tab=citedBy

U2 - 10.1063/1.465548

DO - 10.1063/1.465548

M3 - Article

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EP - 9313

JO - The Journal of chemical physics

JF - The Journal of chemical physics

IS - 11

ER -

Accurate quantum probabilities and threshold behavior of the H+O ₂ combustion reaction

Abstract

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