Configuration
CO_32010469040545766
Names | xxMD-CASSCF_malonaldehyde_test_state2_2966, xxMD-CASSCF_malonaldehyde_test_state1_2966, xxMD-CASSCF_malonaldehyde_test_state0_2966, xxMD-DFT_malonaldehyde_test_2966 |
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Chemical Formula Hill | C3H4O2 |
Configuration Sets | |
Data Objects |
DO_1196944114149263853 DO_1648240445377938172 DO_1190853252540625305 DO_1126469214433759190 |
ColabFit ID | CO_32010469040545766 |
Files | colabfitspec.json |
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