A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra

Computational and Theoretical Chemistry

Volumn 990, Issue , 2012, Pages 119-125

  Monari, Antonio ^a   Very, Thibaut ^a   Rivail, Jean Louis ^a   Assfeld, Xavier ^a  

^a NANCY UNIVERSITÉ   (France)

Author keywords

Copper proteins; Excited states; Mixed quantum mechanics molecular mechanics; Redox properties; Time dependent DFT

Indexed keywords

EID: 84862100043     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.11.026     Document Type: Article

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