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Title: The multichannel n -propyl + O 2 reaction surface: Definitive theory on a model hydrocarbon oxidation mechanism

Authors:
 [1] ;  [1] ;  [2] ;  [1] ;  [1]
  1. Center for Computational Chemistry and Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA
  2. College of Chemistry &, Pharmacy, Northwest A&,F University, Yangling, Shaanxi 712100, People’s Republic of China
Publication Date:
Grant/Contract Number:
SC0015512
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 9; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1423507

Bartlett, Marcus A., Liang, Tao, Pu, Liang, Schaefer, Henry F., and Allen, Wesley D.. The multichannel n -propyl + O 2 reaction surface: Definitive theory on a model hydrocarbon oxidation mechanism. United States: N. p., Web. doi:10.1063/1.5017305.
Bartlett, Marcus A., Liang, Tao, Pu, Liang, Schaefer, Henry F., & Allen, Wesley D.. The multichannel n -propyl + O 2 reaction surface: Definitive theory on a model hydrocarbon oxidation mechanism. United States. doi:10.1063/1.5017305.
Bartlett, Marcus A., Liang, Tao, Pu, Liang, Schaefer, Henry F., and Allen, Wesley D.. 2018. "The multichannel n -propyl + O 2 reaction surface: Definitive theory on a model hydrocarbon oxidation mechanism". United States. doi:10.1063/1.5017305.
@article{osti_1423507,
title = {The multichannel n -propyl + O 2 reaction surface: Definitive theory on a model hydrocarbon oxidation mechanism},
author = {Bartlett, Marcus A. and Liang, Tao and Pu, Liang and Schaefer, Henry F. and Allen, Wesley D.},
abstractNote = {},
doi = {10.1063/1.5017305},
journal = {Journal of Chemical Physics},
number = 9,
volume = 148,
place = {United States},
year = {2018},
month = {3}
}

Works referenced in this record:

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journal, November 1994
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Density‐functional thermochemistry. III. The role of exact exchange
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General atomic and molecular electronic structure system
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