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Metadata:
| Title: | uracil+4H2O_tdcamb3_pc1_smd |
| Authors: | Pearce, Harrison |
| Issue Date: | 18-Apr-2024 |
| Publisher: | Barcelona Supercomputing Center San Diego State University |
| Description: | Uracil with 4 waters. TD-CAM-B3LYP/pc1 single point at the pc1 optimized geometry. Both calculations are done with SMD=water. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/320070 |
| Appears in Collections: | TD-DFT_Nucleobases_and_nucleobase_analogues - DOI: 10.19061/iochem-bd-6-353 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/320070
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