September 16, 2021 Dataset Open Access

Wulf, Toshiki

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  "identifier": "https://doi.org/10.14278/rodare.1208", 
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  "datePublished": "2021-09-16", 
  "name": "Data publication: B\u2081\u2082X\u2081\u2081(H\u2082)\u207b: Exploring the limits of isotopologue selectivity of hydrogen adsorption", 
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  "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&ndash;28475, doi:10.1039/d1ra06322g</p>", 
  "keywords": [
    "hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters"
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      "name": "Wulf, Toshiki", 
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      "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf", 
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