Dataset Open Access
{ "title": "Data publication: B\u2081\u2082X\u2081\u2081(H\u2082)\u207b: Exploring the limits of isotopologue selectivity of hydrogen adsorption", "abstract": "<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>", "type": "dataset", "issued": { "date-parts": [ [ 2021, 9, 16 ] ] }, "DOI": "10.14278/rodare.1208", "publisher": "Rodare", "language": "eng", "author": [ { "family": "Wulf, Toshiki" } ], "id": "1208" }
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