Code snippets
Metadata:
| Title: | 1a |
| Authors: | Novotny, Jan |
| Issue Date: | 16-Aug-2022 |
| Publisher: | Barcelona Supercomputing Center |
| Description: | trans-RuCl4(4-COOHPy)2: 2c calculation of g-tensor (SO-ZORA/PBE0/TZ2P/COSMO), evaluation of hyperfine shift on H atoms of bound cyclodextrines (alpha, beta and gamma) in specified orientation using point-dipol approximation |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/216902 |
| 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/100/216902
Item files in Browse 
HTML5 resume (see conditions inside)