Show simple item record

AuthorTonigold, Katrindc.contributor.author
AuthorGross, Axeldc.contributor.author
Date of accession2021-04-13T11:36:14Zdc.date.accessioned
Available in OPARU since2021-04-13T11:36:14Zdc.date.available
Date of first publication2012dc.date.issued
Languageendc.language.iso
PublisherUniversität Ulmdc.publisher
Keyworddensity functional theorydc.subject
Keyworddispersion energydc.subject
Keywordnoncovalent interactionsdc.subject
Keywordexplicit water modeldc.subject
Keywordadsorption energydc.subject
Keywordmetal surfacedc.subject
KeywordMOLECULAR-DYNAMICS SIMULATIONdc.subject
KeywordTOTAL-ENERGY CALCULATIONSdc.subject
KeywordBASIS-SETSdc.subject
KeywordSOLID-SURFACESdc.subject
KeywordLIQUID WATERdc.subject
KeywordADSORPTIONdc.subject
Keyword1ST-PRINCIPLESdc.subject
KeywordDISSOCIATIONdc.subject
KeywordCOADSORPTIONdc.subject
KeywordCOMPLEXESdc.subject
Dewey Decimal GroupDDC 540 / Chemistry & allied sciencesdc.subject.ddc
TitleDispersive interactions in water bilayers at metallic surfaces: A comparison of the PBE and RPBE functional including semiempirical dispersion correctionsdc.title
Resource typeWissenschaftlicher Artikeldc.type
FacultyFakultät für Naturwissenschaftenuulm.affiliationGeneral
InstitutionInstitut für Theoretische Chemieuulm.affiliationSpecific
DCMI TypeTextuulm.typeDCMI
CategoryPublikationsnachweiseuulm.category
DOI (external)10.1002/jcc.22900dc.identifier.doiExternal
Source - Title of sourceJournal of Computational Chemistrysource.title
Source - Place of publicationWileysource.publisher
Source - Volume33source.volume
Source - Issue6source.issue
Source - Year2012source.year
Source - From page695source.fromPage
Source - To page701source.toPage
Source - ISSN0192-8651source.identifier.issn
Source - eISSN1096-987Xsource.identifier.eissn
CommunityFakultät für Naturwissenschaftenuulm.community
WoS000300003600012uulm.identifier.wos
Bibliographyuulmuulm.bibliographie


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record