Configuration
CO_74093696277721661
| Names | xxMD-CASSCF_malonaldehyde_test_state2_4102, xxMD-CASSCF_malonaldehyde_test_state1_4102, xxMD-CASSCF_malonaldehyde_test_state0_4102, xxMD-DFT_malonaldehyde_test_4102 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_2225410099358409394 DO_931018523297739176 DO_774510862400924045 DO_452936284291852041 |
| ColabFit ID | CO_74093696277721661 |
| Files | colabfitspec.json |
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