Data publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption

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true 3.1 HZDR.RODARE 10.14278/rodare.1208 Wulf, Toshiki 0000-0001-6331-6596 Helmholtz-Zentrum Dresden-Rossendorf Data publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption Rodare 2021 hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters 2021-09-16 en https://rodare.hzdr.de/record/1208 10.1039/d1ra06322g 10.1039/D1RA06322G https://www.hzdr.de/publications/Publ-33197 https://www.hzdr.de/publications/Publ-33253 https://www.hzdr.de/publications/Publ-33092 10.14278/rodare.1207 https://rodare.hzdr.de/communities/rodare Creative Commons Attribution 4.0 International Open Access Sample ORCA 4.2.1 input files (TXT); atomic coordinates and NEB paths (XYZ); vibration files (7-column XYZ) for publication T. Wulf, J. Warneke, T. Heine: B₁₂X₁₁(H₂)⁻: exploring the limits of isotopologue selectivity of hydrogen adsorption. RSC Advances, 11:46 (2021), 28466–28475, doi:10.1039/d1ra06322g