Configuration
CO_6381429903124454
| Names | xxMD-CASSCF_malonaldehyde_train_state2_13002, xxMD-CASSCF_malonaldehyde_train_state1_13002, xxMD-CASSCF_malonaldehyde_train_state0_13002, xxMD-DFT_malonaldehyde_train_13002 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_979823838145373914 DO_108328316450321822 DO_552599543381061407 DO_2255349182499125255 |
| ColabFit ID | CO_6381429903124454 |
| Files | colabfitspec.json |
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