Configuration
CO_1175792368693898481
| Names | xxMD-CASSCF_malonaldehyde_test_state2_6780, xxMD-CASSCF_malonaldehyde_test_state1_6780, xxMD-CASSCF_malonaldehyde_test_state0_6780, xxMD-DFT_malonaldehyde_test_6780 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_511484845721975623 DO_2138948216539658912 DO_43948836562419255 DO_2260903436523670887 |
| ColabFit ID | CO_1175792368693898481 |
| Files | colabfitspec.json |
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