Configuration
CO_629358464928562061
Names | xxMD-CASSCF_malonaldehyde_test_state2_4055, xxMD-CASSCF_malonaldehyde_test_state1_4055, xxMD-CASSCF_malonaldehyde_test_state0_4055, xxMD-DFT_malonaldehyde_test_4055 |
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Chemical Formula Hill | C3H4O2 |
Configuration Sets | |
Data Objects |
DO_1148591884094911326 DO_2021531188048101430 DO_1269279624343150414 DO_466500833317352554 |
ColabFit ID | CO_629358464928562061 |
Files | colabfitspec.json |
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