The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions: I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models

M. Langgård; Jens Spanget-Larsen

The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions: I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

Originalsprog	Engelsk
Tidsskrift	Journal of Molecular Structure: THEOCHEM
Vol/bind	431
Sider (fra-til)	173-180
ISSN	0166-1280
Status	Udgivet - 1998

Citer dette

Langgård, M., & Spanget-Larsen, J. (1998). The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions: I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models. Journal of Molecular Structure: THEOCHEM, 431, 173-180.

Langgård, M. ; Spanget-Larsen, Jens. / The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions : I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models. I: Journal of Molecular Structure: THEOCHEM. 1998 ; Bind 431. s. 173-180.

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title = "The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions: I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models",

author = "M. Langg{\aa}rd and Jens Spanget-Larsen",

year = "1998",

language = "English",

volume = "431",

pages = "173--180",

journal = "Computational and Theoretical Chemistry",

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Langgård, M & Spanget-Larsen, J 1998, 'The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions: I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models', Journal of Molecular Structure: THEOCHEM, bind 431, s. 173-180.

The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions : I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models. / Langgård, M.; Spanget-Larsen, Jens.

I: Journal of Molecular Structure: THEOCHEM, Bind 431, 1998, s. 173-180.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

TY - JOUR

T1 - The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions

T2 - I. a theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models

AU - Langgård, M.

AU - Spanget-Larsen, Jens

PY - 1998

Y1 - 1998

M3 - Journal article

VL - 431

SP - 173

EP - 180

JO - Computational and Theoretical Chemistry

JF - Computational and Theoretical Chemistry

SN - 2210-271X

ER -