Configuration
CO_49431813237047888
| Names | xxMD-CASSCF_malonaldehyde_train_state2_12007, xxMD-CASSCF_malonaldehyde_train_state1_12007, xxMD-CASSCF_malonaldehyde_train_state0_12007, xxMD-DFT_malonaldehyde_train_12007 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_306550370236780029 DO_580303271140502688 DO_467152479201654916 DO_336096998565926435 |
| ColabFit ID | CO_49431813237047888 |
| Files | colabfitspec.json |
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