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Title: Radicals derived from acetaldehyde and vinyl alcohol

Abstract

We reassign several fundamental modes of radicals implicated in butanol combustion and report values for unobserved fundamentals and absolute energetics.

Authors:
 [1];  [1];  [1]; ORCiD logo [1]; ORCiD logo [2];  [3];  [1]; ORCiD logo [4];  [1]; ORCiD logo [1]
  1. Center for Computational Quantum Chemistry; University of Georgia; Athens; USA
  2. Center for Computational Quantum Chemistry; University of Georgia; Athens; USA; Laboratorio de Química Teórica Computacional (QTC)
  3. Center for Computational Quantum Chemistry; University of Georgia; Athens; USA; Department of Chemistry and Biochemistry
  4. Center for Computational Quantum Chemistry; University of Georgia; Athens; USA; Department of Chemistry
Publication Date:
Research Org.:
Univ. of Georgia, Athens, GA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539878
DOE Contract Number:  
SC0015512
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 19; Journal Issue: 40; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Estep, Marissa L., Morgan, W. James, Winkles, Alexander T., Abbott, Adam S., Villegas-Escobar, Nery, Mullinax, J. Wayne, Turner, Walter E., Wang, Xiao, Turney, Justin M., and Schaefer, Henry F. Radicals derived from acetaldehyde and vinyl alcohol. United States: N. p., 2017. Web. doi:10.1039/c7cp04671e.
Estep, Marissa L., Morgan, W. James, Winkles, Alexander T., Abbott, Adam S., Villegas-Escobar, Nery, Mullinax, J. Wayne, Turner, Walter E., Wang, Xiao, Turney, Justin M., & Schaefer, Henry F. Radicals derived from acetaldehyde and vinyl alcohol. United States. doi:10.1039/c7cp04671e.
Estep, Marissa L., Morgan, W. James, Winkles, Alexander T., Abbott, Adam S., Villegas-Escobar, Nery, Mullinax, J. Wayne, Turner, Walter E., Wang, Xiao, Turney, Justin M., and Schaefer, Henry F. Sun . "Radicals derived from acetaldehyde and vinyl alcohol". United States. doi:10.1039/c7cp04671e.
@article{osti_1539878,
title = {Radicals derived from acetaldehyde and vinyl alcohol},
author = {Estep, Marissa L. and Morgan, W. James and Winkles, Alexander T. and Abbott, Adam S. and Villegas-Escobar, Nery and Mullinax, J. Wayne and Turner, Walter E. and Wang, Xiao and Turney, Justin M. and Schaefer, Henry F.},
abstractNote = {We reassign several fundamental modes of radicals implicated in butanol combustion and report values for unobserved fundamentals and absolute energetics.},
doi = {10.1039/c7cp04671e},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 40,
volume = 19,
place = {United States},
year = {2017},
month = {1}
}

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