Configuration
CO_22525637079309758
| Names | xxMD-CASSCF_malonaldehyde_train_state2_13918, xxMD-CASSCF_malonaldehyde_train_state1_13918, xxMD-CASSCF_malonaldehyde_train_state0_13918, xxMD-DFT_malonaldehyde_train_13918 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1023138123355972480 DO_1755205086867275212 DO_1647705458629178754 DO_1995967273662113754 |
| ColabFit ID | CO_22525637079309758 |
| Files | colabfitspec.json |
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