Configuration
CO_1925664722796177318
| Names | xxMD-CASSCF_malonaldehyde_test_state2_5203, xxMD-CASSCF_malonaldehyde_test_state1_5203, xxMD-CASSCF_malonaldehyde_test_state0_5203, xxMD-DFT_malonaldehyde_test_5203 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_660697276157656997 DO_168683144047094566 DO_560785275289637684 DO_350454611929953017 |
| ColabFit ID | CO_1925664722796177318 |
| Files | colabfitspec.json |
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