Dataset Open Access
{ "@id": "https://doi.org/10.14278/rodare.1208", "name": "Data publication: B\u2081\u2082X\u2081\u2081(H\u2082)\u207b: Exploring the limits of isotopologue selectivity of hydrogen adsorption", "url": "https://rodare.hzdr.de/record/1208", "@context": "https://schema.org/", "distribution": [ { "contentUrl": "https://rodare.hzdr.de/api/files/6493fe6e-5b3c-445e-a9c9-b2a6a173c5e6/B12X11-H2.zip", "fileFormat": "zip", "@type": "DataDownload" } ], "inLanguage": { "alternateName": "eng", "name": "English", "@type": "Language" }, "description": "<p>Sample ORCA 4.2.1 input files (TXT);<br>\natomic coordinates and NEB paths (XYZ);<br>\nvibration files (7-column XYZ)</p>\n\n<p>for publication</p>\n\n<p>T. Wulf, J. Warneke, T. Heine: <em>B\u2081\u2082X\u2081\u2081(H\u2082)\u207b: exploring the limits of isotopologue selectivity of hydrogen adsorption</em>. RSC Advances, 11:46 (<strong>2021</strong>), 28466–28475, doi:10.1039/d1ra06322g</p>", "datePublished": "2021-09-16", "sameAs": [ "https://www.hzdr.de/publications/Publ-33253" ], "keywords": [ "hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters" ], "creator": [ { "@id": "https://orcid.org/0000-0001-6331-6596", "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf", "name": "Wulf, Toshiki", "@type": "Person" } ], "identifier": "https://doi.org/10.14278/rodare.1208", "isPartOf": [ { "@type": "CreativeWork", "@id": "https://www.hzdr.de/publications/Publ-33197" } ], "@type": "Dataset", "license": "https://creativecommons.org/licenses/by/4.0/legalcode" }
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