Hybrid density functional studies of a bacteriopheophytin a model and its anion radical form: Geometry, spin densities, and hyperfine couplings

Journal of Computational Chemistry

Volumn 20, Issue 12, 1999, Pages 1292-1298

  O'Malley, Patrick J ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Bacteriopheophytin a; Geometry; Hybrid density functional calculations; Hyperfine couplings; Spin densities

Indexed keywords

EID: 0001757345     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199909)20:12<1292::AID-JCC9>3.0.CO;2-5     Document Type: Article

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