Configuration
CO_19001165680204460
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5441, xxMD-CASSCF_malonaldehyde_test_state1_5441, xxMD-CASSCF_malonaldehyde_test_state0_5441, xxMD-DFT_malonaldehyde_test_5441 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1763411945635035416 DO_2040564957651545082 DO_310765932497051393 DO_1456890821682469018 |
| ColabFit ID | CO_19001165680204460 |
| Files | colabfitspec.json |
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