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Title: Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO 2 reactions

Authors:
; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1382149
DOE Contract Number:  
SC0001198
Resource Type:
Journal Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Volume: 4; Journal Issue: 1; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
biofuels (including algae and biomass), hydrogen and fuel cells, combustion, carbon capture

Citation Formats

Zheng, Jingjing, Seal, Prasenjit, and Truhlar, Donald G. Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO 2 reactions. United States: N. p., 2013. Web. doi:10.1039/c2sc21090h.
Zheng, Jingjing, Seal, Prasenjit, & Truhlar, Donald G. Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO 2 reactions. United States. doi:10.1039/c2sc21090h.
Zheng, Jingjing, Seal, Prasenjit, and Truhlar, Donald G. Tue . "Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO 2 reactions". United States. doi:10.1039/c2sc21090h.
@article{osti_1382149,
title = {Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO 2 reactions},
author = {Zheng, Jingjing and Seal, Prasenjit and Truhlar, Donald G.},
abstractNote = {},
doi = {10.1039/c2sc21090h},
journal = {Chemical Science},
issn = {2041-6520},
number = 1,
volume = 4,
place = {United States},
year = {2013},
month = {1}
}

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