Configuration
CO_2261087889421223517
| Names | xxMD-CASSCF_malonaldehyde_test_state2_2256, xxMD-CASSCF_malonaldehyde_test_state1_2256, xxMD-CASSCF_malonaldehyde_test_state0_2256, xxMD-DFT_malonaldehyde_test_2256 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_527161323017843125 DO_666172696581148091 DO_1250785031684049001 DO_1535794753943804169 |
| ColabFit ID | CO_2261087889421223517 |
| Files | colabfitspec.json |
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