Configuration
CO_888718938983692126
| Names | xxMD-CASSCF_malonaldehyde_test_state2_4471, xxMD-CASSCF_malonaldehyde_test_state1_4471, xxMD-CASSCF_malonaldehyde_test_state0_4471, xxMD-DFT_malonaldehyde_test_4471 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_856564333275924344 DO_2208966827517633660 DO_807726334579684029 DO_317773703523656070 |
| ColabFit ID | CO_888718938983692126 |
| Files | colabfitspec.json |
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