An Energetic Comparison of Different Models for the Oxygen Evolving Complex of Photosystem II.
The article discusses the comparison of structural models obtained from various density functional theory (DFT) for the oxygen evolving complex (OEC) of photosystem II. It discusses the three models employed including the cluster model of the OEC, the Quantum Mechanics/Molecular Mechanics (QM/MM) me...
| Publicado en: | Journal of the American Chemical Society Vol. 131; no. 51; pp. 18238 - 18240 |
|---|---|
| Autor principal: | |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
12/30/2009
|
| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=47681561&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 47681561 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 12/30/2009 vid: 131 iid: 51 pid: 997 pub: American Chemical Society artinfo: ui: 47681561 10.1021/ja908712a ppf: 18238 ppct: 2 formats: tig: atl: An Energetic Comparison of Different Models for the Oxygen Evolving Complex of Photosystem II. aug: au: Siegbahn, Per E. M. affil: Department of Physics, ALBA NOVA, Department of Biochemistry and Biophysics, Arrhenius Laboratory, Stockholm University, SE-106 91; Stockholm, Sweden su: Photosynthetic oxygen evolution Density functionals Oxygen Photosynthesis Quantum theory Methodology sug: subj: Photosynthetic oxygen evolution Density functionals Oxygen Photosynthesis Quantum theory Methodology ab: The article discusses the comparison of structural models obtained from various density functional theory (DFT) for the oxygen evolving complex (OEC) of photosystem II. It discusses the three models employed including the cluster model of the OEC, the Quantum Mechanics/Molecular Mechanics (QM/MM) methodology and constructed models for S-state. Likewise, it explores the usefulness of computed total energy in comparing different structural models of the OCE in photosystem II. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2009 holdings: @attributes: islocal: N |
|---|