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dc.contributor.authorDeringer, Volker L.
dc.contributor.authorCsányi, Gábor
dc.date.accessioned2016-08-31T12:58:22Z
dc.date.available2016-08-31T12:58:22Z
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/257496
dc.descriptionOriginal VASP output files ("OUTCAR") for optimised bulk and surface models of rutile and anatase titanium dioxide (TiO2). The levels of theory used, "PBE", "TS", and "MBD", respectively, are explained and referenced in detail in the associated publication.en
dc.description.sponsorshipEPSRC [EP/K014560/1], Alexander von Humboldt Foundationen
dc.formatThis .tar.gz archive can be extracted using standard tools (such as "tar" on unix systems). The OUTCAR files contained therein can be read with any suitable text editor, or processed further using appropriate software if desired.en
dc.publisherUniversity of Cambridgeen
dc.rightsAttribution-NonCommercial-ShareAlike 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/4.0/*
dc.subjecttitanium dioxideen
dc.subjecttitaniaen
dc.subjectTiO2en
dc.subjectrutileen
dc.subjectanataseen
dc.subjectsurfacesen
dc.titleResearch data supporting "Many-Body Dispersion Correction Effects on Bulk and Surface Properties of Rutile and Anatase TiO2"en
dc.typeDataseten
dc.identifier.doi10.17863/CAM.1731
pubs.declined2017-10-11T13:54:41.827+0100
datacite.contributor.supervisorCsanyi, Gabor
dcterms.formattar.gz, txten
datacite.issupplementto.doi10.1021/acs.jpcc.6b07141


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Attribution-NonCommercial-ShareAlike 4.0 International
Except where otherwise noted, this item's licence is described as Attribution-NonCommercial-ShareAlike 4.0 International