Configuration
CO_4960604351364451
| Names | xxMD-CASSCF_malonaldehyde_train_state2_5351, xxMD-CASSCF_malonaldehyde_train_state1_5351, xxMD-CASSCF_malonaldehyde_train_state0_5351, xxMD-DFT_malonaldehyde_train_5351 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_208467316643370535 DO_111959297495185666 DO_1785130820003985046 DO_1142193633155392223 |
| ColabFit ID | CO_4960604351364451 |
| Files | colabfitspec.json |
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