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
<?xml version='1.0' encoding='utf-8'?> <resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"> <identifier identifierType="DOI">10.14278/rodare.3198</identifier> <creators> <creator> <creatorName>Mitrofanov, Andrei</creatorName> <givenName>Andrei</givenName> <familyName>Mitrofanov</familyName> <affiliation>TUD</affiliation> </creator> <creator> <creatorName>Dreimann, Oliver</creatorName> <givenName>Oliver</givenName> <familyName>Dreimann</familyName> </creator> <creator> <creatorName>Zakirova, Karina</creatorName> <givenName>Karina</givenName> <familyName>Zakirova</familyName> </creator> <creator> <creatorName>Waentig, Albrecht L.</creatorName> <givenName>Albrecht L.</givenName> <familyName>Waentig</familyName> </creator> <creator> <creatorName>Wrzesińska-Lashkova, Angelika</creatorName> <givenName>Angelika</givenName> <familyName>Wrzesińska-Lashkova</familyName> </creator> <creator> <creatorName>Kuc, Agnieszka Beata</creatorName> <givenName>Agnieszka Beata</givenName> <familyName>Kuc</familyName> <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9458-4136</nameIdentifier> <affiliation>HZDR</affiliation> </creator> <creator> <creatorName>Ruck, Michael</creatorName> <givenName>Michael</givenName> <familyName>Ruck</familyName> </creator> <creator> <creatorName>Vaynzof, Yana</creatorName> <givenName>Yana</givenName> <familyName>Vaynzof</familyName> </creator> <creator> <creatorName>Feng, Xinliang</creatorName> <givenName>Xinliang</givenName> <familyName>Feng</familyName> <affiliation>TUD</affiliation> </creator> <creator> <creatorName>Voit, Brigitte</creatorName> <givenName>Brigitte</givenName> <familyName>Voit</familyName> <affiliation>TUD</affiliation> </creator> </creators> <titles> <title>Data publication: Simulation results on Aminophenyl Viologen</title> </titles> <publisher>Rodare</publisher> <publicationYear>2024</publicationYear> <dates> <date dateType="Issued">2024-07-26</date> </dates> <resourceType resourceTypeGeneral="Dataset"/> <alternateIdentifiers> <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/3198</alternateIdentifier> </alternateIdentifiers> <relatedIdentifiers> <relatedIdentifier relatedIdentifierType="DOI" relationType="IsReferencedBy">10.1021/acs.inorgchem.4c01711</relatedIdentifier> <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-39743</relatedIdentifier> <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-39027</relatedIdentifier> <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.3197</relatedIdentifier> <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/matter</relatedIdentifier> <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier> </relatedIdentifiers> <rightsList> <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights> <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights> </rightsList> <descriptions> <description descriptionType="Abstract"><p>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</p></description> </descriptions> </resource>
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