Cultural advice

The Australian National University acknowledges, celebrates and pays our respects to the Ngunnawal and Ngambri people of the Canberra region and to all First Nations Australians on whose traditional lands we meet and work, and whose cultures are among the oldest continuing cultures in human history.

Aboriginal and Torres Strait Islander peoples are advised that ANU Library collections may include images, names, voices, and other representations of deceased persons.

Material in the collection may contain terms, language or views that reflect the period in which the item was created and may be considered inappropriate today.

Electronic Structure and Metal-Metal Bonding in nominal d 3 d 3 M(II)M(IV)Cl 9 3- (M(II) = V, Nb, Ta; M(IV) = Mn, Tc, Re) Face-Shared Binuclear Complexes

Simple item page
dc.contributor.authorStranger, Robert
dc.contributor.authorPetrie, Simon
dc.date.accessioned2015-12-13T23:24:19Z
dc.date.available2015-12-13T23:24:19Z
dc.date.issued2002
dc.date.updated2015-12-12T09:20:02Z
dc.description.abstractDensity functional theory (DFT) calculations have been employed to study structural and electronic configuration trends in the series of mixed-group, face-shared, bimetallic complexes M′M″Cl93- (M′ = V, Nb, Ta; M″ = Mn, Tc, Re), in which each meta
dc.identifier.issn1477-9226
dc.identifier.urihttp://hdl.handle.net/1885/92174
dc.publisherRoyal Society of Chemistry
dc.sourceDalton Transactions
dc.subjectKeywords: Atoms; Chemical bonds; Complexation; Dimers; Dissociation; Electron energy levels; Electron transport properties; Electronic structure; Niobium compounds; Probability density function; Tantalum compounds; Vanadium compounds; Bimetallic complexes; Density
dc.titleElectronic Structure and Metal-Metal Bonding in nominal d 3 d 3 M(II)M(IV)Cl 9 3- (M(II) = V, Nb, Ta; M(IV) = Mn, Tc, Re) Face-Shared Binuclear Complexes
dc.typeJournal article
local.bibliographicCitation.lastpage3639
local.bibliographicCitation.startpage3630
local.contributor.affiliationStranger, Robert, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationPetrie, Simon, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidStranger, Robert, u8708796
local.contributor.authoruidPetrie, Simon, u9800071
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.ariespublicationMigratedxPub23178
local.identifier.scopusID2-s2.0-0036026140
local.type.statusPublished Version

Downloads

Collections

ANU Research Publications

DSpace software copyright © 2002-2026 LYRASIS