Configuration
CO_510005675141849522
| Names | xxMD-CASSCF_malonaldehyde_train_state2_2753, xxMD-CASSCF_malonaldehyde_train_state1_2753, xxMD-CASSCF_malonaldehyde_train_state0_2753, xxMD-DFT_malonaldehyde_train_2753 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_2092282305877060267 DO_620680075388745760 DO_1348157425963881629 DO_1363482018333195986 |
| ColabFit ID | CO_510005675141849522 |
| Files | colabfitspec.json |
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