Solvent effects on g-tensors of semiquinone radical anions: Polarizable continuum versus cluster models

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 132-140

  Ciofini, I ^a   Reviakine, R ^b   Arbuznikov, A ^b   Kaupp, M ^b  

^a PSL RESEARCH UNIVERSITY   (France)

^b UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

Continuum solvent model; Density functional theory; Electronic g tensor; Photosynthesis; Semiquinones

Indexed keywords

ANION; SEMIQUINONE; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; PHOTOSYNTHESIS; THEORETICAL MODEL; THEORETICAL STUDY;

EID: 84962339829     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0517-4     Document Type: Article

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