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| Title: | tCo-CN+6H2O_tdwb_pc1_smd |
| Authors: | Pearce, Harrison |
| Issue Date: | 18-Apr-2024 |
| Publisher: | Barcelona Supercomputing Center San Diego State University |
| Description: | tCo-CN with 6 waters. TD-omegaB97XD/pc1 at the pc1 optimized geometry. Both calculations are done with SMD=water. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/320078 |
| 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/100/320078
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