Hydration preferences for Mn 4 Ca cluster models of Photosystem II: location of potential substrate-water binding sites

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dc.contributor.authorPetrie, Simon
dc.contributor.authorStranger, Robert
dc.contributor.authorPace, Ronald
dc.date.accessioned2015-12-10T22:59:11Z
dc.date.issued2010
dc.date.updated2016-02-24T10:44:22Z
dc.description.abstractDensity functional theory calculations are reported on a set of three model structures of the Mn4Ca cluster in the water-oxidizing complex of Photosystem II (PSII), which share the structural formula [CaMn 4C9H10N2O16] q+•(H2O)n (q=-1, 0, 1, 2, 3; n=0-7
dc.identifier.issn0947-6539
dc.identifier.urihttp://hdl.handle.net/1885/60975
dc.publisherWiley-VCH Verlag GMBH
dc.sourceChemistry, A European Journal
dc.subjectKeywords: Density-functional calculations; Metallo-proteins; Mixed-valent compounds; Photosystem II; water chemistry; Atoms; Binding energy; Biochemistry; Calcium; Crystal atomic structure; Density functional theory; Earthquake resistance; Enzymes; Hydration; Hydro density functional calculations; metalloproteins; mixed-valent compounds; photosystem II; water chemistry
dc.titleHydration preferences for Mn 4 Ca cluster models of Photosystem II: location of potential substrate-water binding sites
dc.typeJournal article
local.bibliographicCitation.issue47
local.bibliographicCitation.lastpage14042
local.bibliographicCitation.startpage14026
local.contributor.affiliationPetrie, Simon, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationStranger, Robert, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationPace, Ronald, College of Physical and Mathematical Sciences, ANU
local.contributor.authoremailu9800071@anu.edu.au
local.contributor.authoruidPetrie, Simon, u9800071
local.contributor.authoruidStranger, Robert, u8708796
local.contributor.authoruidPace, Ronald, u8202121
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.absseo850599 - Renewable Energy not elsewhere classified
local.identifier.ariespublicationU4217927xPUB577
local.identifier.citationvolume16
local.identifier.doi10.1002/chem.201001132
local.identifier.scopusID2-s2.0-78650270001
local.identifier.thomsonID000286289700020
local.identifier.uidSubmittedByU4217927
local.type.statusPublished Version

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