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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6455/MD_1205373148513987547506455.json
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{"dipole-moment": 1.6877, "electronic-spatial-extent": 1700.1545, "enthalpy": -422.556834, "heat-capacity": 32.297, "homo-energy": -0.21779, "homo-lumo-gap": 0.24350000000000002, "internal-energy-298K": -422.557778, "lumo-energy": 0.02571, "polarizability": 78.53, "zpve": 0.156451, "hash": "12053731485139875475064553049058695114297553999028593071027828096129723543216728792784458793115784165241547551216979770418267891386447121887242967637055945", "id": "MD_1205373148513987547506455"}
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PO_4996682721870768476423894
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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_2711514738687065275947217
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data/MD/2182/MD_2577569254240344895962182.json
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