Configuration
CO_18078450999237066
| Names | xxMD-CASSCF_malonaldehyde_train_state2_9824, xxMD-CASSCF_malonaldehyde_train_state1_9824, xxMD-CASSCF_malonaldehyde_train_state0_9824, xxMD-DFT_malonaldehyde_train_9824 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_843002198164091797 DO_2071342654263737452 DO_1890889580071402293 DO_420773256858864386 |
| ColabFit ID | CO_18078450999237066 |
| Files | colabfitspec.json |
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