Configuration
CO_32010469040545766
| Names | xxMD-CASSCF_malonaldehyde_test_state2_2966, xxMD-CASSCF_malonaldehyde_test_state1_2966, xxMD-CASSCF_malonaldehyde_test_state0_2966, xxMD-DFT_malonaldehyde_test_2966 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1196944114149263853 DO_1648240445377938172 DO_1190853252540625305 DO_1126469214433759190 |
| ColabFit ID | CO_32010469040545766 |
| Files | colabfitspec.json |
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