Configuration
CO_1136697989174382301
| Names | xxMD-CASSCF_malonaldehyde_test_state2_4814, xxMD-CASSCF_malonaldehyde_test_state1_4814, xxMD-CASSCF_malonaldehyde_test_state0_4814, xxMD-DFT_malonaldehyde_test_4814 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1729826913321551228 DO_393934295473537489 DO_454609532158225419 DO_159212690977599051 |
| ColabFit ID | CO_1136697989174382301 |
| Files | colabfitspec.json |
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