Configuration
CO_65130920718848211
| Names | xxMD-CASSCF_malonaldehyde_train_state2_12246, xxMD-CASSCF_malonaldehyde_train_state1_12246, xxMD-CASSCF_malonaldehyde_train_state0_12246, xxMD-DFT_malonaldehyde_train_12246 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1216226210658969468 DO_2249082801677031481 DO_114815451807469816 DO_531389927573174381 |
| ColabFit ID | CO_65130920718848211 |
| Files | colabfitspec.json |
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