@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix vcard: <http://www.w3.org/2006/vcard/ns#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://search.nfdi4chem.de/dataset/10-22000-pq3hnekvzqeert17> a dcat:Dataset ;
    dct:description "Cartesian coordinates of optimized geometries of tetracene (ac4) and 5,12-bis((triisopropylsilyl)ethynyl)tetracene (tipsac4) in neutral, radical anion, radical cation states in the gas phase and CH2Cl2 and THF solvents. The geometry optimizations were done with CREST/CENSO2 as described in the mansucript, Chem. Eur. J. 2026; doi.org/10.002/chem.202503591" ;
    dct:identifier <https://dx.doi.org/10.22000/pq3hnekvzqeert17> ;
    dct:issued "2026-04-21T21:18:11.082919"^^xsd:dateTime ;
    dct:modified "2026-04-21T21:18:11.082928"^^xsd:dateTime ;
    dct:publisher <https://search.nfdi4chem.de/organization/2c5ffe45-2787-4598-89db-0cacf2f9584b> ;
    dct:title "5,12-TIPS-Substitution of Tetracene: Effects on Redox Potentials and Cyclic Voltammetric Behavior in CH2Cl2 and THF" ;
    dcat:contactPoint [ a vcard:Organization ;
            vcard:fn "Bettinger, Holger" ] ;
    dcat:distribution <https://search.nfdi4chem.de/dataset/10-22000-pq3hnekvzqeert17/resource/d24c7fe3-207c-41d7-8be1-507a4be861d0> ;
    dcat:keyword "acene",
        "cartesian-coordinates-as-obtained-by-crestcenso2-treatment-as-described-in-the-publication",
        "chemistry",
        "computational-chemistry",
        "dataset",
        "text" .

<https://search.nfdi4chem.de/dataset/10-22000-pq3hnekvzqeert17/resource/d24c7fe3-207c-41d7-8be1-507a4be861d0> a dcat:Distribution ;
    dct:format "TAR" ;
    dct:issued "2026-04-21T21:18:11.131161"^^xsd:dateTime ;
    dct:modified "2026-04-21T21:18:11.067630"^^xsd:dateTime ;
    dct:title "5,12-TIPS-Substitution of Tetracene: Effects on Redox Potentials and Cyclic Voltammetric Behavior in CH2Cl2 and THF" ;
    dcat:accessURL <https://dx.doi.org/10.22000/pq3hnekvzqeert17> .

<https://search.nfdi4chem.de/organization/2c5ffe45-2787-4598-89db-0cacf2f9584b> a foaf:Organization ;
    foaf:homepage <https://radar.products.fiz-karlsruhe.de/themes/custom/fizweb/icons/radar/logo-radar-de.svg> ;
    foaf:name "Radar4Chem " .