Configuration
CO_452625428404356520
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5211, xxMD-CASSCF_malonaldehyde_test_state1_5211, xxMD-CASSCF_malonaldehyde_test_state0_5211, xxMD-DFT_malonaldehyde_test_5211 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1154628266007104078 DO_2269769286462609449 DO_332543561703559781 DO_2177237033231433149 |
| ColabFit ID | CO_452625428404356520 |
| Files | colabfitspec.json |
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