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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5129/MD_3115702453153731542985129.json
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{"dipole-moment": 1.543, "electronic-spatial-extent": 1233.4438, "enthalpy": -422.521824, "heat-capacity": 32.826, "homo-energy": -0.22852, "homo-lumo-gap": 0.23108, "internal-energy-298K": -422.522768, "lumo-energy": 0.00256, "polarizability": 77.23, "zpve": 0.157026, "hash": "3115702453153731542985129953828354597310590087394010679359297502379408384383399661602332534187225492907063400150817559201122432065209451288641921602557934", "id": "MD_3115702453153731542985129"}
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PO_4631696304433856361984159
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DS_olmzgsz9hmxy_0
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Gaussian 09
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G4MP2
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1128421278635379723116998
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0879/MD_1000408012121662179060879.json
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