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Journal of the American Chemical Society

Volumn 124, Issue 11, 2002, Pages 2709-2722

Density functional calculations of electronic g-tensors for semiquinone radical anions. The role of hydrogen bonding and substituent effects

(5) Kaupp, Martin a Remenyi, Christian a Vaara, Juha b Malkina, Olga L c Malkin, Vladimir G c

a UNIVERSITY OF WÜRZBURG (Germany)

b UNIVERSITY OF HELSINKI (Finland)

c INSTITUTE OF CHEMISTRY (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

RADICAL ANIONS;

ANISOTROPY; CONFORMATIONS; HYDROGEN BONDS; NEGATIVE IONS; PARAMAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; TENSORS;

ORGANIC COMPOUNDS;

2 PROPANOL; ANION; CARBONYL DERIVATIVE; METHYL GROUP; RADICAL; SEMIQUINONE;

ANISOTROPY; ARTICLE; CALCULATION; DENSITY; ELECTRON SPIN RESONANCE; ELECTRONICS; HYDROGEN BOND; PHOTOSYNTHESIS; SOLVATION;

1-PROPANOL; ANISOTROPY; BENZOQUINONES; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; UBIQUINONE; WATER;

EID: 0037139510 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0162764 Document Type: Article

Times cited : (96)

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