Configuration
CO_138158706328047141
| Names | xxMD-CASSCF_malonaldehyde_train_state2_1702, xxMD-CASSCF_malonaldehyde_train_state1_1702, xxMD-CASSCF_malonaldehyde_train_state0_1702, xxMD-DFT_malonaldehyde_train_1702 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_746462304045998188 DO_388179248226336293 DO_692022836614170818 DO_641620349416217910 |
| ColabFit ID | CO_138158706328047141 |
| Files | colabfitspec.json |
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