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| Title: | /No_solvation/Cu(pc)-CO2__assembly CO2_unrelaxed_fragment |
| Authors: | Nesterova, Oksana |
| Issue Date: | 28-Nov-2024 |
| Publisher: | Barcelona Supercomputing Center The Instituto Superior de Engenharia de Lisboa (ISEL), Portugal |
| Description: | unrelaxed fragment of the Cu(pc)-CO2 assembly optimized at the PBE0/def2-TZVP/D4 level |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/332029 |
| Appears in Collections: | Interaction_of_metal_complex_phthalocyanines_with_CO2 - DOI: 10.19061/iochem-bd-6-427 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/332029
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