Configuration
CO_1287019236674245270
| Names | xxMD-CASSCF_malonaldehyde_test_state2_3477, xxMD-CASSCF_malonaldehyde_test_state1_3477, xxMD-CASSCF_malonaldehyde_test_state0_3477, xxMD-DFT_malonaldehyde_test_3477 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1075701198744134719 DO_1740619832822051146 DO_2120300169056323280 DO_41816944988878568 |
| ColabFit ID | CO_1287019236674245270 |
| Files | colabfitspec.json |
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