Configuration
CO_406014926120886278
| Names | xxMD-CASSCF_malonaldehyde_train_state2_8036, xxMD-CASSCF_malonaldehyde_train_state1_8036, xxMD-CASSCF_malonaldehyde_train_state0_8036, xxMD-DFT_malonaldehyde_train_8036 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_797113693773899602 DO_2179515714584260130 DO_893500552871212359 DO_739911212739258399 |
| ColabFit ID | CO_406014926120886278 |
| Files | colabfitspec.json |
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