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Reaction Kinetics of CO+HO2 -> Products: AB INITIO Transition State Theory Study with Master Equation Modeling

You, Xiaoqing and Wang, Hai and Goos, Elke and Sung, Chih-Jen and Klippenstein, Stephen J. (2007) Reaction Kinetics of CO+HO2 -> Products: AB INITIO Transition State Theory Study with Master Equation Modeling. Journal of Physical Chemistry A, 111 (19), pp. 4031-4042. ACS Publications. DOI: 10.1021/jp067597a. ISSN 1520-5215 (A) - Web Edition.

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Document Type:Article
Title:Reaction Kinetics of CO+HO2 -> Products: AB INITIO Transition State Theory Study with Master Equation Modeling
Authors:
AuthorsInstitution or Email of Authors
You, Xiaoqing Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles
Wang, Hai Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles
Goos, ElkeUNSPECIFIED
Sung, Chih-JenDepartment of Mechanical and Aerospace Engineering,Case Western Reserve University, Cleveland
Klippenstein, Stephen J.Chemistry Division, Argonne National Laboratory, Argonne
Date:2007
Journal or Publication Title:Journal of Physical Chemistry A
Refereed publication:Yes
In ISI Web of Science:Yes
Volume:111
DOI:10.1021/jp067597a
Page Range:pp. 4031-4042
Publisher:ACS Publications
ISSN:1520-5215 (A) - Web Edition
Status:Published
Keywords:reaction kinetics, ab initio, transition state, CO+HO2, master equation
HGF - Research field:Energy
HGF - Program:Efficient Energy Conversion (old)
HGF - Program Themes:E VG - Combustion and Gas Turbine Technologies (old)
DLR - Research area:Energy
DLR - Program:E VG - Combustion and Gas Turbine Technologies
DLR - Research theme (Project):E - Schadstoffe (old)
Location: Stuttgart
Institutes and Institutions:Institute of Combustion Technology > Chemical Kinetics
Deposited By: Dr. Klaus Peter Geigle
Deposited On:12 Jul 2007
Last Modified:27 Apr 2009 14:03

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