Dataset Open Access
{ "conceptrecid": "1207", "metadata": { "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>", "publication_date": "2021-09-16", "related_identifiers": [ { "scheme": "doi", "relation": "isSupplementTo", "identifier": "10.1039/d1ra06322g" }, { "scheme": "doi", "relation": "isReferencedBy", "identifier": "10.1039/D1RA06322G" }, { "scheme": "url", "relation": "isPartOf", "identifier": "https://www.hzdr.de/publications/Publ-33197" }, { "scheme": "url", "relation": "isIdenticalTo", "identifier": "https://www.hzdr.de/publications/Publ-33253" }, { "scheme": "url", "relation": "isReferencedBy", "identifier": "https://www.hzdr.de/publications/Publ-33092" }, { "scheme": "doi", "relation": "isVersionOf", "identifier": "10.14278/rodare.1207" } ], "resource_type": { "type": "dataset", "title": "Dataset" }, "relations": { "version": [ { "index": 0, "last_child": { "pid_value": "1208", "pid_type": "recid" }, "is_last": true, "parent": { "pid_value": "1207", "pid_type": "recid" }, "count": 1 } ] }, "doi": "10.14278/rodare.1208", "pub_id": "33253", "language": "eng", "access_right_category": "success", "communities": [ { "id": "rodare" } ], "doc_id": "1", "access_right": "open", "creators": [ { "orcid": "0000-0001-6331-6596", "name": "Wulf, Toshiki", "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf" } ], "title": "Data publication: B\u2081\u2082X\u2081\u2081(H\u2082)\u207b: Exploring the limits of isotopologue selectivity of hydrogen adsorption", "keywords": [ "hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters" ], "license": { "id": "CC-BY-4.0" } }, "stats": { "volume": 344976291.0, "unique_downloads": 17.0, "version_unique_downloads": 17.0, "unique_views": 130.0, "downloads": 153.0, "version_unique_views": 130.0, "version_views": 302.0, "version_downloads": 153.0, "version_volume": 344976291.0, "views": 302.0 }, "conceptdoi": "10.14278/rodare.1207", "created": "2021-10-17T18:43:21.149671+00:00", "updated": "2023-01-23T22:09:39.338274+00:00", "links": { "badge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.1208.svg", "doi": "https://doi.org/10.14278/rodare.1208", "conceptbadge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.1207.svg", "conceptdoi": "https://doi.org/10.14278/rodare.1207", "bucket": "https://rodare.hzdr.de/api/files/6493fe6e-5b3c-445e-a9c9-b2a6a173c5e6", "html": "https://rodare.hzdr.de/record/1208", "latest": "https://rodare.hzdr.de/api/records/1208", "latest_html": "https://rodare.hzdr.de/record/1208" }, "doi": "10.14278/rodare.1208", "files": [ { "key": "B12X11-H2.zip", "type": "zip", "bucket": "6493fe6e-5b3c-445e-a9c9-b2a6a173c5e6", "checksum": "md5:1e65f959cb353500623a4d1a2ea47bdd", "size": 2254747, "links": { "self": "https://rodare.hzdr.de/api/files/6493fe6e-5b3c-445e-a9c9-b2a6a173c5e6/B12X11-H2.zip" } } ], "revision": 5, "owners": [ 463 ], "id": 1208 }
All versions | This version | |
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Views | 302 | 302 |
Downloads | 153 | 153 |
Data volume | 345.0 MB | 345.0 MB |
Unique views | 130 | 130 |
Unique downloads | 17 | 17 |