Configuration
CO_1928320546640632184
| Names | xxMD-CASSCF_malonaldehyde_test_state2_6884, xxMD-CASSCF_malonaldehyde_test_state1_6884, xxMD-CASSCF_malonaldehyde_test_state0_6884, xxMD-DFT_malonaldehyde_test_6884 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1207932449144975218 DO_1421393154497360159 DO_1427512712739687597 DO_1874001451626652369 |
| ColabFit ID | CO_1928320546640632184 |
| Files | colabfitspec.json |
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