Dataset Open Access
Mitrofanov, Andrei; Dreimann, Oliver; Zakirova, Karina; Waentig, Albrecht L.; Wrzesińska-Lashkova, Angelika; Kuc, Agnieszka Beata; Ruck, Michael; Vaynzof, Yana; Feng, Xinliang; Voit, Brigitte
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</dct:creator> <dct:creator> <rdf:Description> <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/> <foaf:name>Voit, Brigitte</foaf:name> <foaf:givenName>Brigitte</foaf:givenName> <foaf:familyName>Voit</foaf:familyName> <org:memberOf> <foaf:Organization> <foaf:name>TUD</foaf:name> </foaf:Organization> </org:memberOf> </rdf:Description> </dct:creator> <dct:title>Data publication: Simulation results on Aminophenyl Viologen</dct:title> <dct:publisher> <foaf:Agent> <foaf:name>Rodare</foaf:name> </foaf:Agent> </dct:publisher> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2024</dct:issued> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2024-07-26</dct:issued> <owl:sameAs rdf:resource="https://rodare.hzdr.de/record/3198"/> <adms:identifier> <adms:Identifier> <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://rodare.hzdr.de/record/3198</skos:notation> </adms:Identifier> </adms:identifier> <dct:isReferencedBy rdf:resource="https://doi.org/10.1021/acs.inorgchem.4c01711"/> <owl:sameAs rdf:resource="https://www.hzdr.de/publications/Publ-39743"/> <dct:isReferencedBy rdf:resource="https://www.hzdr.de/publications/Publ-39027"/> <dct:isVersionOf rdf:resource="https://doi.org/10.14278/rodare.3197"/> <dct:isPartOf rdf:resource="https://rodare.hzdr.de/communities/matter"/> <dct:isPartOf rdf:resource="https://rodare.hzdr.de/communities/rodare"/> <dct:description><p>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</p></dct:description> <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/PUBLIC"/> <dct:accessRights> <dct:RightsStatement rdf:about="info:eu-repo/semantics/openAccess"> <rdfs:label>Open Access</rdfs:label> </dct:RightsStatement> </dct:accessRights> <dcat:distribution> <dcat:Distribution> <dct:rights> <dct:RightsStatement 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