Configuration
CO_97459670844970344
| Names | xxMD-CASSCF_malonaldehyde_test_state2_3304, xxMD-CASSCF_malonaldehyde_test_state1_3304, xxMD-CASSCF_malonaldehyde_test_state0_3304, xxMD-DFT_malonaldehyde_test_3304 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_515716222533276900 DO_1420791978425677522 DO_794238696719911969 DO_1648018258765984898 |
| ColabFit ID | CO_97459670844970344 |
| Files | colabfitspec.json |
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