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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5621/MD_8761376599932278105995621.json
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{"dipole-moment": 2.0811, "electronic-spatial-extent": 1090.1481, "enthalpy": -422.478944, "heat-capacity": 31.621, "homo-energy": -0.24562, "homo-lumo-gap": 0.30619, "internal-energy-298K": -422.479888, "lumo-energy": 0.06057, "polarizability": 75.44, "zpve": 0.157206, "hash": "8761376599932278105995621434086519799146742068410706242288645507850486540069118969230119328959554656220803121291983907040714616192022564400659213912840218", "id": "MD_8761376599932278105995621"}
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PO_8246323454125514343016458
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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_2605475403136907901505642
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/4868/MD_2386832700643151977584868.json
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