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| Title: | /No_solvation/Mg(pc)-CO2__assembly Mg(pc)-CO2_aug-cc-pVDZ_basis_set_TDDFT |
| Authors: | Nesterova, Oksana |
| Issue Date: | 28-Nov-2024 |
| Publisher: | Barcelona Supercomputing Center The Instituto Superior de Engenharia de Lisboa (ISEL), Portugal |
| Description: | TDDFT calculation at the PBE0/aug-cc-pVDZ/D4 level using the geometry optimized at the same level |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/332023 |
| Appears in Collections: | Interaction_of_metal_complex_phthalocyanines_with_CO2 - DOI: 10.19061/iochem-bd-6-427 |
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https://iochem-bd.bsc.es/browse/handle/100/332023
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