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.

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Item URL in elib:

https://elib.dlr.de/49752/

Document Type:

Article

Title:

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

Authors:

Authors	Institution or Email of Authors	Author's ORCID iD	ORCID Put Code
You, Xiaoqing	Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles	UNSPECIFIED	UNSPECIFIED
Wang, Hai	Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles	UNSPECIFIED	UNSPECIFIED
Goos, Elke	UNSPECIFIED	UNSPECIFIED	UNSPECIFIED
Sung, Chih-Jen	Department of Mechanical and Aerospace Engineering,Case Western Reserve University, Cleveland	UNSPECIFIED	UNSPECIFIED
Klippenstein, Stephen J.	Chemistry Division, Argonne National Laboratory, Argonne	UNSPECIFIED	UNSPECIFIED

Date:

2007

Journal or Publication Title:

Journal of Physical Chemistry A

Refereed publication:

Yes

Open Access:

Gold Open Access:

In SCOPUS:

In ISI Web of Science:

Yes

Volume:

111

DOI:

10.1021/jp067597a

Page Range:

pp. 4031-4042

Publisher:

ACS Publications

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:

Geigle, Dr. Klaus Peter

Deposited On:

12 Jul 2007

Last Modified:

24 Apr 2024 19:12

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