Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

Lokamani, Mani; Kelling, Jeffrey; Ohmann, Robin; Meyer, Jörg; Kühne, Tim; Cuniberti, Gianaurello; Wolf, Jannic; Juckeland, Guido; Huhn, Thomas; Zahn, Peter; Moresco, Francesca; Gemming, Sibylle

doi:10.14278/rodare.1375

January 12, 2022 Dataset Open Access

Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

Lokamani, Mani; Kelling, Jeffrey; Ohmann, Robin; Meyer, Jörg; Kühne, Tim; Cuniberti, Gianaurello; Wolf, Jannic; Juckeland, Guido; Huhn, Thomas; Zahn, Peter; Moresco, Francesca; Gemming, Sibylle

DCAT Export

<?xml version='1.0' encoding='utf-8'?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:adms="http://www.w3.org/ns/adms#" xmlns:cnt="http://www.w3.org/2011/content#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dct="http://purl.org/dc/terms/" xmlns:dctype="http://purl.org/dc/dcmitype/" xmlns:dcat="http://www.w3.org/ns/dcat#" xmlns:duv="http://www.w3.org/ns/duv#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:frapo="http://purl.org/cerif/frapo/" xmlns:geo="http://www.w3.org/2003/01/geo/wgs84_pos#" xmlns:gsp="http://www.opengis.net/ont/geosparql#" xmlns:locn="http://www.w3.org/ns/locn#" xmlns:org="http://www.w3.org/ns/org#" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:prov="http://www.w3.org/ns/prov#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:schema="http://schema.org/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:vcard="http://www.w3.org/2006/vcard/ns#" xmlns:wdrs="http://www.w3.org/2007/05/powder-s#">
  <rdf:Description rdf:about="https://doi.org/10.14278/rodare.1375">
    <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/>
    <dct:type rdf:resource="http://purl.org/dc/dcmitype/Dataset"/>
    <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.14278/rodare.1375</dct:identifier>
    <foaf:page rdf:resource="https://doi.org/10.14278/rodare.1375"/>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0001-8679-5905">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Lokamani, Mani</foaf:name>
        <foaf:givenName>Mani</foaf:givenName>
        <foaf:familyName>Lokamani</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0003-1761-2591">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Kelling, Jeffrey</foaf:name>
        <foaf:givenName>Jeffrey</foaf:givenName>
        <foaf:familyName>Kelling</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Ohmann, Robin</foaf:name>
        <foaf:givenName>Robin</foaf:givenName>
        <foaf:familyName>Ohmann</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Meyer, Jörg</foaf:name>
        <foaf:givenName>Jörg</foaf:givenName>
        <foaf:familyName>Meyer</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Kühne, Tim</foaf:name>
        <foaf:givenName>Tim</foaf:givenName>
        <foaf:familyName>Kühne</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Cuniberti, Gianaurello</foaf:name>
        <foaf:givenName>Gianaurello</foaf:givenName>
        <foaf:familyName>Cuniberti</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Wolf, Jannic</foaf:name>
        <foaf:givenName>Jannic</foaf:givenName>
        <foaf:familyName>Wolf</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0002-9935-4428">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Juckeland, Guido</foaf:name>
        <foaf:givenName>Guido</foaf:givenName>
        <foaf:familyName>Juckeland</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Huhn, Thomas</foaf:name>
        <foaf:givenName>Thomas</foaf:givenName>
        <foaf:familyName>Huhn</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0003-4756-5239">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Zahn, Peter</foaf:name>
        <foaf:givenName>Peter</foaf:givenName>
        <foaf:familyName>Zahn</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description>
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Moresco, Francesca</foaf:name>
        <foaf:givenName>Francesca</foaf:givenName>
        <foaf:familyName>Moresco</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0003-0455-1945">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Gemming, Sibylle</foaf:name>
        <foaf:givenName>Sibylle</foaf:givenName>
        <foaf:familyName>Gemming</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:title>Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations</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">2022</dct:issued>
    <dcat:keyword>DFTB</dcat:keyword>
    <dcat:keyword>1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB)</dcat:keyword>
    <dcat:keyword>STM</dcat:keyword>
    <dcat:keyword>High-Throughput</dcat:keyword>
    <dcat:keyword>Meta-Structures</dcat:keyword>
    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2022-01-12</dct:issued>
    <owl:sameAs rdf:resource="https://rodare.hzdr.de/record/1375"/>
    <adms:identifier>
      <adms:Identifier>
        <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://rodare.hzdr.de/record/1375</skos:notation>
      </adms:Identifier>
    </adms:identifier>
    <dct:isReferencedBy rdf:resource="https://www.hzdr.de/publications/Publ-32816"/>
    <owl:sameAs rdf:resource="https://www.hzdr.de/publications/Publ-33955"/>
    <dct:isVersionOf rdf:resource="https://doi.org/10.14278/rodare.1374"/>
    <dct:isPartOf rdf:resource="https://rodare.hzdr.de/communities/rodare"/>
    <dct:description>&lt;p&gt;Bei diesem Datensatz handelt es sich um die Grundzustandsstruktur von PEEB auf Au(111) und die Inputdatei f&amp;uuml;r DFTB+.&lt;/p&gt;</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 rdf:about="https://creativecommons.org/licenses/by/4.0/legalcode">
            <rdfs:label>Creative Commons Attribution 4.0 International</rdfs:label>
          </dct:RightsStatement>
        </dct:rights>
        <dcat:accessURL rdf:resource="https://doi.org/10.14278/rodare.1375"/>
      </dcat:Distribution>
    </dcat:distribution>
  </rdf:Description>
</rdf:RDF>

3,809

4,925

views

downloads

See more details...

	All versions	This version
Views	3,809	3,809
Downloads	4,925	4,924
Data volume	61.7 MB	61.7 MB
Unique views	1,067	1,067
Unique downloads	344	343

More info on how stats are collected.

Publication date:

January 12, 2022

DOI:

Keyword(s):

DFTB 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) STM High-Throughput Meta-Structures

Related identifiers:

Identical to:
https://www.hzdr.de/publications/Publ-33955

Referenced by:
https://www.hzdr.de/publications/Publ-32816

Communities:

RODARE

License (for files):

Creative Commons Attribution 4.0 International

Versions

Version 1 10.14278/rodare.1375

Jan 12, 2022

Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.1374. This DOI represents all versions, and will always resolve to the latest one. Read more.

Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

DCAT Export

Versions

Share

Cite as

Export

About

Help

Contribute

Follow us

Registered in

Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

DCAT Export

RODARE DOI Badge

DOI

10.14278/rodare.1375

Markdown

[![DOI](https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1375.svg)](https://doi.org/10.14278/rodare.1375)

reStructedText

.. image:: https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1375.svg :target: https://doi.org/10.14278/rodare.1375

HTML

<a href="https://doi.org/10.14278/rodare.1375"><img src="https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1375.svg" alt="DOI"></a>

Image URL

https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1375.svg

Target URL

https://doi.org/10.14278/rodare.1375

Versions

Share

Cite as

Export