Configuration
CO_2267204182833544538
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5837, xxMD-CASSCF_malonaldehyde_test_state1_5837, xxMD-CASSCF_malonaldehyde_test_state0_5837, xxMD-DFT_malonaldehyde_test_5837 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1822115623546056947 DO_1327408522955689337 DO_782123725751085097 DO_93188124600472646 |
| ColabFit ID | CO_2267204182833544538 |
| Files | colabfitspec.json |
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