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Title: 5a
Authors: Novotny, Jan
Issue Date: 16-Aug-2022
Publisher: Barcelona Supercomputing Center
Description: trans-Ru(oxalate)2(4-COOHPy)2: 2c calculation of g-tensor (SO-ZORA/PBE0/TZ2P/COSMO), evaluation of hyperfine shift on H atoms of bound beta-cyclodextrines in head orientation using point-dipol approximation
URI: https://iochem-bd.bsc.es/browse/handle/100/216900
Appears in Collections:Ru_CD - DOI: 10.19061/iochem-bd-6-157



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/216900

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