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hal.structure.identifierDepartment of Theoretical Chemistry
dc.contributor.authorPLASHKEVYCH, Olexandre
hal.structure.identifierMolecular Physics, Department of Experimental Physics
dc.contributor.authorSNIS, A.
hal.structure.identifierDepartment of Theoretical Chemistry
dc.contributor.authorYANG, Li
hal.structure.identifierDepartment of Theoretical Chemistry
dc.contributor.authorÅGREN, Hans
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir
dc.date.issued2001-01-01
dc.identifier.issn0031-8949
dc.description.abstractEnNear-edge x-ray absorption fine structure spectra have been calculated for different carbon-nitrogen molecules, clusters and solids. The compounds investigated are used to model the chemical bonding in carbon nitride thin films. The molecular and cluster spectra are calculated employing the static exchange ab initio technique, while the solid state calculations are performed with the density functional full potential augmented plane wave method.
dc.language.isoen
dc.publisherIOP Publishing
dc.title.enNear-Edge X-ray Absorption Spectra of Carbon-Nitride Molecules and Solids
dc.typeArticle de revue
dc.identifier.doi10.1088/0031-8949/63/1/010
dc.subject.halChimie/Matériaux
bordeaux.journalPhysica Scripta
bordeaux.page70-86
bordeaux.volume63
bordeaux.issue1
bordeaux.peerReviewedoui
hal.identifierhal-03669692
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03669692v1
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