Dataset Open Access
<?xml version='1.0' encoding='UTF-8'?> <record xmlns="http://www.loc.gov/MARC21/slim"> <leader>00000nmm##2200000uu#4500</leader> <datafield tag="260" ind1=" " ind2=" "> <subfield code="c">2021-09-16</subfield> </datafield> <datafield tag="650" ind1="1" ind2="7"> <subfield code="a">cc-by</subfield> <subfield code="2">opendefinition.org</subfield> </datafield> <datafield tag="245" ind1=" " ind2=" "> <subfield code="a">Data publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption</subfield> </datafield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">dataset</subfield> </datafield> <datafield tag="100" ind1=" " ind2=" "> <subfield code="a">Wulf, Toshiki</subfield> <subfield code="u">Helmholtz-Zentrum Dresden-Rossendorf</subfield> <subfield code="0">(orcid)0000-0001-6331-6596</subfield> </datafield> <datafield tag="024" ind1=" " ind2=" "> <subfield code="a">10.14278/rodare.1208</subfield> <subfield code="2">doi</subfield> </datafield> <datafield tag="909" ind1="C" ind2="O"> <subfield code="o">oai:rodare.hzdr.de:1208</subfield> <subfield code="p">openaire_data</subfield> <subfield code="p">user-rodare</subfield> </datafield> <controlfield tag="001">1208</controlfield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">user-rodare</subfield> </datafield> <datafield tag="653" ind1=" " ind2=" "> <subfield code="a">hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters</subfield> </datafield> <datafield tag="520" ind1=" " ind2=" "> <subfield code="a"><p>Sample ORCA 4.2.1 input files (TXT);<br> atomic coordinates and NEB paths (XYZ);<br> vibration files (7-column XYZ)</p> <p>for publication</p> <p>T. Wulf, J. Warneke, T. Heine: <em>B₁₂X₁₁(H₂)⁻: 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></subfield> </datafield> <datafield tag="041" ind1=" " ind2=" "> <subfield code="a">eng</subfield> </datafield> <datafield tag="540" ind1=" " ind2=" "> <subfield code="u">https://creativecommons.org/licenses/by/4.0/legalcode</subfield> <subfield code="a">Creative Commons Attribution 4.0 International</subfield> </datafield> <datafield tag="856" ind1="4" ind2=" "> <subfield code="s">2254747</subfield> <subfield code="u">https://rodare.hzdr.de/record/1208/files/B12X11-H2.zip</subfield> <subfield code="z">md5:1e65f959cb353500623a4d1a2ea47bdd</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">10.1039/d1ra06322g</subfield> <subfield code="i">isSupplementTo</subfield> <subfield code="n">doi</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">10.1039/D1RA06322G</subfield> <subfield code="i">isReferencedBy</subfield> <subfield code="n">doi</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">https://www.hzdr.de/publications/Publ-33197</subfield> <subfield code="i">isPartOf</subfield> <subfield code="n">url</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">https://www.hzdr.de/publications/Publ-33253</subfield> <subfield code="i">isIdenticalTo</subfield> <subfield code="n">url</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">https://www.hzdr.de/publications/Publ-33092</subfield> <subfield code="i">isReferencedBy</subfield> <subfield code="n">url</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">10.14278/rodare.1207</subfield> <subfield code="i">isVersionOf</subfield> <subfield code="n">doi</subfield> </datafield> <datafield tag="542" ind1=" " ind2=" "> <subfield code="l">open</subfield> </datafield> <controlfield tag="005">20230123220939.0</controlfield> </record>
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