Configuration
CO_1894508551063110525
| Names | xxMD-CASSCF_malonaldehyde_test_state2_1106, xxMD-CASSCF_malonaldehyde_test_state1_1106, xxMD-CASSCF_malonaldehyde_test_state0_1106, xxMD-DFT_malonaldehyde_test_1106 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_641834138791401574 DO_184239968556068811 DO_2208002764834573379 DO_654662283968174109 |
| ColabFit ID | CO_1894508551063110525 |
| Files | colabfitspec.json |
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