Dataset Open Access

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

Wulf, Toshiki

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

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Publication date:
September 16, 2021
DOI:
10.14278/rodare.1208

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DOI 

10.14278/rodare.1208

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Keyword(s):
hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-33253
Part of:
https://www.hzdr.de/publications/Publ-33197
Referenced by:
10.1039/D1RA06322G, https://www.hzdr.de/publications/Publ-33092
Supplement to:
10.1039/d1ra06322g
Communities:
License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.14278/rodare.1208 Sep 16, 2021
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