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

DOI

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

Identifier
DOI https://doi.org/10.14278/rodare.1208
Related Identifier https://doi.org/10.1039/d1ra06322g
Related Identifier https://doi.org/10.1039/D1RA06322G
Related Identifier https://www.hzdr.de/publications/Publ-33197
Related Identifier https://www.hzdr.de/publications/Publ-33253
Related Identifier https://www.hzdr.de/publications/Publ-33092
Related Identifier https://doi.org/10.14278/rodare.1207
Related Identifier https://rodare.hzdr.de/communities/rodare
Metadata Access https://rodare.hzdr.de/oai2d?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:rodare.hzdr.de:1208
Provenance
Creator Wulf, Toshiki ORCID logo
Publisher Rodare
Publication Year 2021
Rights Creative Commons Attribution 4.0 International; Open Access; https://creativecommons.org/licenses/by/4.0/legalcode; info:eu-repo/semantics/openAccess
OpenAccess true
Contact https://rodare.hzdr.de/support
Representation
Language English
Resource Type Dataset
Discipline Life Sciences; Natural Sciences; Engineering Sciences