Configuration
CO_30625707686085629
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5985, xxMD-CASSCF_malonaldehyde_test_state1_5985, xxMD-CASSCF_malonaldehyde_test_state0_5985, xxMD-DFT_malonaldehyde_test_5985 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1044670672203196968 DO_38009791981850372 DO_376122024988123889 DO_1633760119229535021 |
| ColabFit ID | CO_30625707686085629 |
| Files | colabfitspec.json |
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