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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5604/MD_3392039237263890275075604.json
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{"dipole-moment": 1.1536, "electronic-spatial-extent": 949.1776, "enthalpy": -422.485789, "heat-capacity": 29.231, "homo-energy": -0.24616, "homo-lumo-gap": 0.32211999999999996, "internal-energy-298K": -422.486733, "lumo-energy": 0.07596, "polarizability": 74.83, "zpve": 0.158803, "hash": "3392039237263890275075604915393569169321330930103179921113043125984395806123236409360108233382443369114681857950155242330005535403282809582423331152906077", "id": "MD_3392039237263890275075604"}
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PO_4735363401316724134658686
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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_5791050205385622301895551
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8657/MD_8615518536518561957908657.json
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