Data publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption
Data publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption
Abstract
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
Verknüpfte Publikationen
- DOI: 10.1039/d1ra06322g is supplemented by this (Id 33253) publication
- DOI: 10.1039/D1RA06322G references this (Id 33253) publication
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The role of adsorption strength and quantum confinement on the isotopologue …
ROBIS: 33197 has this (Id 33253) publication as part -
B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen …
ROBIS: 33092 has used this (Id 33253) publication of HZDR-primary research data
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Forschungsdaten im HZDR-Daten-Repositorium 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