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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2293/MD_7962219177205155954692293.json
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{"dipole-moment": 4.3043, "electronic-spatial-extent": 1030.8813, "enthalpy": -422.616477, "heat-capacity": 28.593, "homo-energy": -0.26075, "homo-lumo-gap": 0.27487, "internal-energy-298K": -422.617421, "lumo-energy": 0.01412, "polarizability": 73.44, "zpve": 0.160468, "hash": "796221917720515595469229379125785308264344282365707267415904421031753779444757611563957687277892449900231302498039492578859810122335024309189518921034649", "id": "MD_7962219177205155954692293"}
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PO_2001561848661870821614895
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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_4865194036639526018237186
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9278/MD_8261684916739875964799278.json
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