Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
1 PublicationData publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption
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
Keywords: hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters
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Reseach data in the HZDR data repository RODARE
Publication date: 2021-09-16 Open access
DOI: 10.14278/rodare.1207
Versions: 10.14278/rodare.1208
License: CC-BY-4.0
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Permalink: https://www.hzdr.de/publications/Publ-33253
