Ab Initio Study of the Formation and Degradation Reactions of Semiquinone and Phenoxyl Radicals

Randall W. Hall; Cheri A. McFerrin; Barry Dellinger

doi:10.1016/j.theochem.2007.09.005

Ab Initio Study of the Formation and Degradation Reactions of Semiquinone and Phenoxyl Radicals

Randall W. Hall
, Cheri A. McFerrin
, Barry Dellinger

Department of Chemistry, Louisiana State University, Baton Rouge

Research output: Contribution to journal › Article › peer-review

Original language	American English
Pages (from-to)	16-23
Number of pages	8
Journal	Journal of Molecular Structure: THEOCHEM
Volume	848
Issue number	1-3
DOIs	https://doi.org/10.1016/j.theochem.2007.09.005
State	Published - Jan 2008
Externally published	Yes

Funding

This work was supported by the National Science Foundation through Grant CTS-0317094 and through an allocation of time on the high performance cyberinfrastructure GridChem (Grant OCI-0438312). The computational facilities LSU’s Information Technology Services Center and Center for Computation and Technology ( www.cct.lsu.edu ) were also used.

Funders	Funder number
National Science Foundation	CTS-0317094, OCI-0438312

ASJC Scopus Subject Areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

Keywords

Ab initio
Quinone
Free radical
31.15.Ar
51.30.+i

Disciplines

Chemistry

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Ab Initio Study of the Formation and Degradation Reactions of Semiquinone and Phenoxyl Radicals

Funding

ASJC Scopus Subject Areas

Keywords

Disciplines

Access to Document

OpenUrl availability

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