Configuration
CO_415921489247184154
Names | xxMD-CASSCF_malonaldehyde_test_state2_4182, xxMD-CASSCF_malonaldehyde_test_state1_4182, xxMD-CASSCF_malonaldehyde_test_state0_4182, xxMD-DFT_malonaldehyde_test_4182 |
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Chemical Formula Hill | C3H4O2 |
Configuration Sets | |
Data Objects |
DO_817103714648935362 DO_1101302311822014399 DO_2226958825700867024 DO_1435393904979094948 |
ColabFit ID | CO_415921489247184154 |
Files | colabfitspec.json |
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