Configuration
CO_29366456356342904
| Names | xxMD-CASSCF_malonaldehyde_train_state2_10221, xxMD-CASSCF_malonaldehyde_train_state1_10221, xxMD-CASSCF_malonaldehyde_train_state0_10221, xxMD-DFT_malonaldehyde_train_10221 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_2071687837125148321 DO_851140884780605342 DO_1670183072919160166 DO_1764503253430296917 |
| ColabFit ID | CO_29366456356342904 |
| Files | colabfitspec.json |
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