Configuration
CO_1729615846633919765
| Names | xxMD-CASSCF_malonaldehyde_test_state2_299, xxMD-CASSCF_malonaldehyde_test_state1_299, xxMD-CASSCF_malonaldehyde_test_state0_299, xxMD-DFT_malonaldehyde_test_299 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_705131224872418642 DO_615077809456674666 DO_2140742943024235629 DO_943495241340732445 |
| ColabFit ID | CO_1729615846633919765 |
| Files | colabfitspec.json |
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