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| Title: | /Acetonitrile_solvation_model/Zn(pc)-CO2__assembly_in_MeCN 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 Zn(pc)-CO2 assembly optimized at the PBE0/def2-TZVP/D4/SMD level |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/332050 |
| Appears in Collections: | Interaction_of_metal_complex_phthalocyanines_with_CO2 - DOI: 10.19061/iochem-bd-6-427 |
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