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AuthorGross, Axeldc.contributor.author
Date of accession2020-11-04T14:06:34Zdc.date.accessioned
Available in OPARU since2020-11-04T14:06:34Zdc.date.available
Date of first publication2013dc.date.issued
Languageendc.language.iso
PublisherUniversität Ulmdc.publisher
KeywordPalladiumdc.subject
KeywordHydrogendc.subject
KeywordDensity functional theory calculationsdc.subject
KeywordPoisoningdc.subject
KeywordAdsorption dynamicsdc.subject
KeywordSubsurface penetrationdc.subject
KeywordGENERALIZED GRADIENT APPROXIMATIONdc.subject
KeywordTOTAL-ENERGY CALCULATIONSdc.subject
KeywordAUGMENTED-WAVE METHODdc.subject
KeywordELASTIC BAND METHODdc.subject
KeywordDISSOCIATIVE ADSORPTIONdc.subject
KeywordQUANTUM DYNAMICSdc.subject
KeywordHYDROGEN DISSOCIATIONdc.subject
KeywordSURFACE-REACTIONdc.subject
KeywordMETAL-SURFACESdc.subject
KeywordSADDLE-POINTSdc.subject
Dewey Decimal GroupDDC 530 / Physicsdc.subject.ddc
Dewey Decimal GroupDDC 540 / Chemistry & allied sciencesdc.subject.ddc
TitleAb initio molecular dynamics study of H-2 adsorption on sulfur- and chlorine-covered Pd(100)dc.title
Resource typeWissenschaftlicher Artikeldc.type
FacultyFakultät für Naturwissenschaftenuulm.affiliationGeneral
InstitutionInstitut für Theoretische Chemieuulm.affiliationSpecific
DCMI TypeTextuulm.typeDCMI
CategoryPublikationsnachweiseuulm.category
DOI (external)10.1016/j.susc.2012.10.015dc.identifier.doiExternal
Source - Title of sourceSurface Sciencesource.title
Source - Place of publicationElseviersource.publisher
Source - Volume608source.volume
Source - Year2013source.year
Source - From page249source.fromPage
Source - To page254source.toPage
Source - ISSN0039-6028source.identifier.issn
CommunityFakultät für Naturwissenschaftenuulm.community
WoS000312615500033uulm.identifier.wos
Bibliographyuulmuulm.bibliographie


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