Configuration
CO_103272534049003645
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5005, xxMD-CASSCF_malonaldehyde_test_state1_5005, xxMD-CASSCF_malonaldehyde_test_state0_5005, xxMD-DFT_malonaldehyde_test_5005 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1541703208107806037 DO_1793916427373472963 DO_1042201872022150095 DO_2128183239246931415 |
| ColabFit ID | CO_103272534049003645 |
| Files | colabfitspec.json |
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