Configuration
CO_19732948590763345
| Names | xxMD-CASSCF_malonaldehyde_train_state2_4064, xxMD-CASSCF_malonaldehyde_train_state1_4064, xxMD-CASSCF_malonaldehyde_train_state0_4064, xxMD-DFT_malonaldehyde_train_4064 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1402056406026757116 DO_817311406684793779 DO_1989452716189388448 DO_1806775715812208788 |
| ColabFit ID | CO_19732948590763345 |
| Files | colabfitspec.json |
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