Configuration
CO_1516250080608231730
| Names | xxMD-CASSCF_malonaldehyde_test_state2_932, xxMD-CASSCF_malonaldehyde_test_state1_932, xxMD-CASSCF_malonaldehyde_test_state0_932, xxMD-DFT_malonaldehyde_test_932 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_543037846128494234 DO_576571240847153106 DO_673205826404584855 DO_516516973537507922 |
| ColabFit ID | CO_1516250080608231730 |
| Files | colabfitspec.json |
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