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AuthorWatanabe, Hiroshi C.dc.contributor.author
AuthorKubillus, Maximiliandc.contributor.author
AuthorKubar, Tomasdc.contributor.author
AuthorStach, Robertdc.contributor.author
AuthorMizaikoff, Borisdc.contributor.author
AuthorIshikita, Hiroshidc.contributor.author
Date of accession2019-01-11T11:08:10Zdc.date.accessioned
Available in OPARU since2019-01-11T11:08:10Zdc.date.available
Date of first publication2017dc.date.issued
Languageendc.language.iso
PublisherUniversität Ulmdc.publisher
Keywordmolecular-dynamics simulationsdc.subject
Keyworddensity-functional theorydc.subject
Keywordx-ray-diffractiondc.subject
Keywordtotal-reflection spectroscopydc.subject
Keywordaqueous-solutionsdc.subject
Keywordliquid waterdc.subject
Keywordneutron-diffractiondc.subject
Keywordforce-fielddc.subject
Keywordchloride solutionsdc.subject
Keywordionic-solutionsdc.subject
Dewey Decimal GroupDDC 540 / Chemistry & allied sciencesdc.subject.ddc
TitleCation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics methoddc.title
Resource typeWissenschaftlicher Artikeldc.type
FacultyFakultät für Naturwissenschaftenuulm.affiliationGeneral
InstitutionInstitut für Analytische und Bioanalytische Chemieuulm.affiliationSpecific
DCMI TypeTextuulm.typeDCMI
CategoryPublikationsnachweiseuulm.category
DOI (external)10.1039/c7cp01708adc.identifier.doiExternal
Source - Title of sourcePhysical Chemistry Chemical Physicssource.title
Source - Place of publicationRoyal Society of Chemistrysource.publisher
Source - Volume19source.volume
Source - Issue27source.issue
Source - Year2017source.year
Source - From page17985source.fromPage
Source - To page17997source.toPage
Source - ISSN1463-9076source.identifier.issn
Source - eISSN1463-9084source.identifier.eissn
Funding``TSUBAME Encouragement Program for Young/Female Users'' of Global Scientific Information and Computing Center at Tokyo Institute of Technologyuulm.funding
Funding``Joint Usage/Research Center for Interdisciplinary Large-scale Information Infrastructures'' in Japanuulm.funding
FundingJST CRESTuulm.funding
FundingJSPS KAKENHI [17K15101, 15H00864, 16H06560, 26105012, 26711008]uulm.funding
Suitable communityFakultät für Naturwissenschaftenuulm.community
WoS000405424100051uulm.identifier.wos


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