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C9H14F9LiN2O6S3
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C9F9H14LiN2O6S3
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A14B9C9D6E3F2G
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DS_xs942mj0c3dx_0
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Gaussian 16
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DFT-B3LYP
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[] |
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C4H8Li2O2S9
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C4H8Li2O2S9
|
A9B8C4D2E2
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data/MD/7674/MD_9858864948818539608027674.json
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DS_xs942mj0c3dx_0
| 1
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Gaussian 16
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DFT-B3LYP
| -232.466621
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[] |
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CO_4329797759340847930701920
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C4H8O
|
C4H8O
|
A8B4C
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[
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data/MD/7674/MD_9858864948818539608027674.json
| null | null | null |
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PO_1234469616360148495159571
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| 2025-04-16T17:52:39
|
DS_xs942mj0c3dx_0
| 1
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Gaussian 16
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DFT-B3LYP
| -2,581.766615
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6163636683046950481156939
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[
false,
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false
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C6H9F9LiNO4S2Si
|
C6F9H9LiNO4S2Si
|
A9B9C6D4E2FGH
|
[
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[
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1
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| 8
| 0
|
[
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[
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data/MD/7674/MD_9858864948818539608027674.json
| null | null | null |
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PO_6901021693318917488370664
|
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| 2025-04-16T17:07:04
|
DS_xs942mj0c3dx_0
| 1
|
Gaussian 16
|
DFT-B3LYP
| -268.407346
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1026740796888954893673496
|
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[
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] |
[
false,
false,
false
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C3H6O2
|
C3H6O2
|
A6B3C2
|
[
"C",
"H",
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] |
[
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[
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1,
1,
1,
1,
1
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
"ma",
"esp_O(C(=O)C)C"
] | null |
data/MD/7674/MD_9858864948818539608027674.json
| null | null | null |
{"basis-set": "6-31+G*", "hash": "9858864948818539608027674078325956487375683796883420043095466882557623087587018593376074382794460944957509113867395388962970759856413626651878073967596710", "id": "MD_9858864948818539608027674"}
|
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