Configuration
CO_538374700965649133
| Names | xxMD-CASSCF_malonaldehyde_train_state2_4652, xxMD-CASSCF_malonaldehyde_train_state1_4652, xxMD-CASSCF_malonaldehyde_train_state0_4652, xxMD-DFT_malonaldehyde_train_4652 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_923522172101228584 DO_631916188789256907 DO_1543274276161955847 DO_1172330951705521846 |
| ColabFit ID | CO_538374700965649133 |
| Files | colabfitspec.json |
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