Configuration
CO_692499083081990771
| Names | xxMD-CASSCF_malonaldehyde_test_state2_4706, xxMD-CASSCF_malonaldehyde_test_state1_4706, xxMD-CASSCF_malonaldehyde_test_state0_4706, xxMD-DFT_malonaldehyde_test_4706 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1997642937094876183 DO_370221468743129616 DO_1008770090336448239 DO_1917726878348190274 |
| ColabFit ID | CO_692499083081990771 |
| Files | colabfitspec.json |
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