Configuration
CO_53567062352367463
| Names | xxMD-CASSCF_malonaldehyde_train_state2_5219, xxMD-CASSCF_malonaldehyde_train_state1_5219, xxMD-CASSCF_malonaldehyde_train_state0_5219, xxMD-DFT_malonaldehyde_train_5219 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_572141055762381356 DO_798615626965477090 DO_1602598551819885354 DO_1302003976239537663 |
| ColabFit ID | CO_53567062352367463 |
| Files | colabfitspec.json |
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