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| Title: | tCo-CN+8H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd |
| Authors: | Pearce, Harrison |
| Issue Date: | 18-Apr-2024 |
| Publisher: | Barcelona Supercomputing Center San Diego State University |
| Description: | tCo-CN with 8 waters. Single point B3LYP calculation with SMD=water and GD3BJ empirical dispersion. The single point calculation is performed with a aug-cc-pVDZ basis. Done at the B3LYP/cc-pVDZ SMD=water GD3BJ optimized geometry. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/320059 |
| 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/100/320059
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