Configuration
CO_171098274060064095
| Names | xxMD-CASSCF_malonaldehyde_train_state2_4747, xxMD-CASSCF_malonaldehyde_train_state1_4747, xxMD-CASSCF_malonaldehyde_train_state0_4747, xxMD-DFT_malonaldehyde_train_4747 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_869075527453547405 DO_1326048883609623837 DO_869873486000802927 DO_2047363544110066691 |
| ColabFit ID | CO_171098274060064095 |
| Files | colabfitspec.json |
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