Configuration
CO_1451311360810455732
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5698, xxMD-CASSCF_malonaldehyde_test_state1_5698, xxMD-CASSCF_malonaldehyde_test_state0_5698, xxMD-DFT_malonaldehyde_test_5698 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_611790070044799442 DO_675283748140644414 DO_409153760415710330 DO_969043081970139717 |
| ColabFit ID | CO_1451311360810455732 |
| Files | colabfitspec.json |
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