Configuration
CO_2298808596929099226
| Names | xxMD-CASSCF_malonaldehyde_test_state2_3788, xxMD-CASSCF_malonaldehyde_test_state1_3788, xxMD-CASSCF_malonaldehyde_test_state0_3788, xxMD-DFT_malonaldehyde_test_3788 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1285812035589866600 DO_871850140559199624 DO_1156966588918192401 DO_856282036469513129 |
| ColabFit ID | CO_2298808596929099226 |
| Files | colabfitspec.json |
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