Radicals derived from acetaldehyde and vinyl alcohol

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.

doi:10.1039/c7cp04671e

Title: Radicals derived from acetaldehyde and vinyl alcohol

Journal Article · Sun Jan 01 00:00:00 EST 2017 · Physical Chemistry Chemical Physics. PCCP (Print)

DOI:https://doi.org/10.1039/c7cp04671e· OSTI ID:1539878

Estep, Marissa L. ^[1]; Morgan, W. James ^[1]; Winkles, Alexander T. ^[1];

^[1];

^[2]; Mullinax, J. Wayne ^[3]; Turner, Walter E. ^[1];

^[4]; Turney, Justin M. ^[1];

^[1]

Center for Computational Quantum Chemistry; University of Georgia; Athens; USA
Center for Computational Quantum Chemistry; University of Georgia; Athens; USA; Laboratorio de Química Teórica Computacional (QTC)
Center for Computational Quantum Chemistry; University of Georgia; Athens; USA; Department of Chemistry and Biochemistry
Center for Computational Quantum Chemistry; University of Georgia; Athens; USA; Department of Chemistry

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

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Research Organization:: Univ. of Georgia, Athens, GA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0015512

OSTI ID:: 1539878

Journal Information:: Physical Chemistry Chemical Physics. PCCP (Print), Vol. 19, Issue 40; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Journal Article · Wed May 04 00:00:00 EDT 1994 · Journal of the American Chemical Society; (United States) · OSTI ID:1539878

Cederstav, A K; Novak, B M

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Physics

Title: Radicals derived from acetaldehyde and vinyl alcohol

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