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| 2025-04-16T16:03:23
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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_8016077423054453820355639
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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/1176/MD_1040218582236556714451176.json
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{"dipole-moment": 0.6959, "electronic-spatial-extent": 1009.7161, "enthalpy": -422.514934, "heat-capacity": 31.973, "homo-energy": -0.24445, "homo-lumo-gap": 0.31326, "internal-energy-298K": -422.515878, "lumo-energy": 0.06881, "polarizability": 73.84, "zpve": 0.156717, "hash": "10402185822365567144511761716409852486998204626455803832766761976416644964565658425320646598889182120089464410826948501336604926897324274043744249037118617", "id": "MD_1040218582236556714451176"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1048933832989145692478169
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| 2025-04-16T18:33:38
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,499.200898
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1224190291182009820256352
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3958/MD_3521557721533039506313958.json
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