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Title: | uracil+4H2O_tdwb_tzvp_smd |
Authors: | Pearce, Harrison |
Issue Date: | 18-Apr-2024 |
Publisher: | Barcelona Supercomputing Center San Diego State University |
Description: | Uracil with 4 waters. TD-omegaB97XD/TZVP single point at the TZVP optimized geometry. Both calculations are done with SMD=water. |
URI: | https://iochem-bd.bsc.es/browse/handle/100/320061 |
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/100/320061