Configuration
CO_966180044342853701
| Names | xxMD-CASSCF_malonaldehyde_test_state2_3935, xxMD-CASSCF_malonaldehyde_test_state1_3935, xxMD-CASSCF_malonaldehyde_test_state0_3935, xxMD-DFT_malonaldehyde_test_3935 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1172544560515900299 DO_1415284543874350114 DO_1752887587222298443 DO_1912542365620244615 |
| ColabFit ID | CO_966180044342853701 |
| Files | colabfitspec.json |
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