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Title: | tC-DEA+6H2O_tdpbe_ccpVTZ@ccpVDZ_smd |
Authors: | Pearce, Harrison |
Issue Date: | 18-Apr-2024 |
Publisher: | Barcelona Supercomputing Center San Diego State University |
Description: | tC-DEA with 6 waters. TD-PBE/cc-pVTZ at the cc-pVDZ optimized geometry. Both calculations are done with SMD=water. |
URI: | https://iochem-bd.bsc.es/browse/handle/100/320098 |
Appears in Collections: | TD-DFT_Nucleobases_and_nucleobase_analogues - DOI: 10.19061/iochem-bd-6-353 |
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https://iochem-bd.bsc.es/browse/handle/100/320098