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| Title: | adenine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd |
| Authors: | Pearce, Harrison |
| Issue Date: | 18-Apr-2024 |
| Publisher: | Barcelona Supercomputing Center San Diego State University |
| Description: | Adenine molecule. TD-B3LYP/aug-cc-pVDZ+SMD=water+GD3BJ single point calculation. Geometry at B3LYP/cc-pVDZ+SMD=water. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/320117 |
| 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/100/320117
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