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| Title: | 01_Ir-NH2_vac |
| Authors: | Pikulova, Petra |
| Keywords: | Ir pincer complexes g-tensor Density functional calculations relativistic effects iridium EPR spectroscopy |
| Issue Date: | 29-Nov-2022 |
| Publisher: | Barcelona Supercomputing Center |
| Description: | Ir-NH2 optimized in vacuum |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/251544 |
| Appears in Collections: | PT3_g-tensors - DOI: 10.19061/iochem-bd-6-194 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/251544
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