Configuration
CO_756398886953145160
| Names | xxMD-CASSCF_malonaldehyde_train_state2_2418, xxMD-CASSCF_malonaldehyde_train_state1_2418, xxMD-CASSCF_malonaldehyde_train_state0_2418, xxMD-DFT_malonaldehyde_train_2418 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_693767456926196796 DO_1046522540354904086 DO_526360965613490189 DO_2109354916370974598 |
| ColabFit ID | CO_756398886953145160 |
| Files | colabfitspec.json |
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