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| 2025-04-16T17:50:51
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DS_olmzgsz9hmxy_0
| 1
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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_1026222459920502248903084
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C7H10O2
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7329/MD_7962429799720968305727329.json
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{"dipole-moment": 0.9055, "electronic-spatial-extent": 1405.2172, "enthalpy": -422.512986, "heat-capacity": 32.742, "homo-energy": -0.2619, "homo-lumo-gap": 0.29786, "internal-energy-298K": -422.51393, "lumo-energy": 0.03596, "polarizability": 77.23, "zpve": 0.156601, "hash": "7962429799720968305727329119302750388695821104411054694276373497027018038932917334009371092943632037023472563600080437451520970037899975372348206332077875", "id": "MD_7962429799720968305727329"}
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PO_1224337202698436775672375
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| 2025-04-16T16:10:07
|
DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
|
G4MP2
| -11,499.703356
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6299609350327162488381377
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C7H10O2
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3955/MD_5721821212315602803703955.json
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