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2025-04-16T16:55:35
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T15:40:54
DS_wqezpu0pw9io_0
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2025-04-17T17:56:16
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T17:48:31
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T17:29:43
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-17T18:16:17
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:29:37
DS_wqezpu0pw9io_0
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Gaussian 09
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PO_1000092958833109590925199
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2025-04-16T21:27:46
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:30:02
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T16:41:55
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T17:26:48
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:56:50
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000087350685581051518870
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2025-04-17T18:37:27
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
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2025-04-16T22:04:30
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:56:50
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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data/MD/6151/MD_1328053828533783752466151.json
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PO_1000291476596222153175607
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2025-04-16T18:25:21
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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C3H4O
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DS_wqezpu0pw9io_0
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2025-04-16T18:08:08
DS_wqezpu0pw9io_0
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2025-04-16T17:23:23
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T18:43:26
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T18:43:09
DS_wqezpu0pw9io_0
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Gaussian 09
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C3H4O
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2025-04-16T16:30:02
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:14:40
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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PO_1000234858953424280303941
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2025-04-16T20:27:55
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T15:43:17
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-17T17:35:57
DS_wqezpu0pw9io_0
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C3H4O
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2025-04-16T17:18:29
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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C3H4O
C3H4O
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2025-04-16T15:42:56
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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C3H4O
C3H4O
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2025-04-16T22:03:29
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
C3H4O
A4B3C
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data/MD/6151/MD_1328053828533783752466151.json
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2025-04-16T16:48:35
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
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data/MD/6151/MD_1328053828533783752466151.json
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2025-04-16T15:44:34
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
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data/MD/6151/MD_1328053828533783752466151.json
data/MD/7087/MD_5723842846684648963257087.json
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PO_1000172331241496105183723
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2025-04-16T16:20:57
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T17:17:12
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:37:17
DS_wqezpu0pw9io_0
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Gaussian 09
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C3H4O
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2025-04-16T18:59:53
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
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2025-04-16T20:19:02
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
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data/MD/6151/MD_1328053828533783752466151.json
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2025-04-16T16:06:08
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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C3H4O
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data/MD/6151/MD_1328053828533783752466151.json
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{"basis-set": "6-311G*", "input": {"Integral": "Grid=UltraFine", "SCF": "VeryTight"}, "hash": "1328053828533783752466151858047953172646130339264132668638221079979218335887074736637000313502836461884520749173598178212731509928431074724325188781693247", "id": "MD_1328053828533783752466151"}
PO_1000192396426341122442051
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2025-04-16T20:42:07
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
-5,216.549166
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C3H4O
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3
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data/MD/6151/MD_1328053828533783752466151.json
data/MD/3096/MD_1095718955466304866763096.json
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{"basis-set": "6-311G*", "input": {"Integral": "Grid=UltraFine", "SCF": "VeryTight"}, "hash": "1328053828533783752466151858047953172646130339264132668638221079979218335887074736637000313502836461884520749173598178212731509928431074724325188781693247", "id": "MD_1328053828533783752466151"}
PO_1000161544604694058628478
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2025-04-16T15:42:26
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
-5,216.516093
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C3H4O
C3H4O
A4B3C
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data/MD/6151/MD_1328053828533783752466151.json
data/MD/7016/MD_3022809638762975673567016.json
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{"basis-set": "6-311G*", "input": {"Integral": "Grid=UltraFine", "SCF": "VeryTight"}, "hash": "1328053828533783752466151858047953172646130339264132668638221079979218335887074736637000313502836461884520749173598178212731509928431074724325188781693247", "id": "MD_1328053828533783752466151"}
PO_1000358713162448302241235
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2025-04-16T15:45:17
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
-5,214.419541
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2025-04-16T20:09:34
DS_wqezpu0pw9io_0
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2025-04-16T18:24:30
DS_wqezpu0pw9io_0
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2025-04-16T18:33:43
DS_wqezpu0pw9io_0
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2025-04-16T21:37:22
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:43:16
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T22:04:30
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:56:50
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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data/MD/6151/MD_1328053828533783752466151.json
data/MD/3519/MD_9047552679647090230763519.json
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PO_1000476918598833801228147
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2025-04-16T16:25:12
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T15:44:08
DS_wqezpu0pw9io_0
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2025-04-16T15:43:44
DS_wqezpu0pw9io_0
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2025-04-16T21:30:02
DS_wqezpu0pw9io_0
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2025-04-16T20:51:28
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T18:16:00
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T21:22:14
DS_wqezpu0pw9io_0
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Gaussian 09
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PO_1000532969000925758215420
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2025-04-16T21:27:46
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000565163050658960459583
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2025-04-17T17:35:57
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:52:07
DS_wqezpu0pw9io_0
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2025-04-16T21:22:14
DS_wqezpu0pw9io_0
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2025-04-16T19:07:41
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T18:33:38
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T16:26:57
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T20:07:31
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000546458328117195442133
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2025-04-16T16:50:03
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
-5,216.606727
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data/MD/6151/MD_1328053828533783752466151.json
data/MD/3571/MD_5325334018675465618193571.json
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PO_1000564020411363981012435
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2025-04-16T17:54:28
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
-5,215.563788
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2025-04-16T16:48:35
DS_wqezpu0pw9io_0
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2025-04-16T21:52:07
DS_wqezpu0pw9io_0
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2025-04-16T18:41:25
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T21:57:13
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:56:50
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T21:13:01
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000624681806251911627624
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2025-04-16T20:07:31
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000694895776274028802913
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2025-04-16T21:27:46
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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DS_wqezpu0pw9io_0
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2025-04-16T18:12:42
DS_wqezpu0pw9io_0
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2025-04-16T21:51:46
DS_wqezpu0pw9io_0
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2025-04-16T21:28:46
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T17:32:57
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T21:43:25
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T15:44:18
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T21:30:02
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T20:05:02
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-16T20:15:40
DS_wqezpu0pw9io_0
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2025-04-16T21:30:02
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T17:44:43
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T16:29:37
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T20:23:59
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000795070890394782038266
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2025-04-16T17:07:03
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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PO_1000817570125530674438192
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2025-04-16T18:04:10
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T21:35:56
DS_wqezpu0pw9io_0
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2025-04-16T17:50:00
DS_wqezpu0pw9io_0
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2025-04-16T15:42:59
DS_wqezpu0pw9io_0
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Gaussian 09
DFT-PBE0
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2025-04-16T16:43:28
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T17:45:49
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T20:32:44
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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data/MD/6151/MD_1328053828533783752466151.json
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{"basis-set": "6-311G*", "input": {"Integral": "Grid=UltraFine", "SCF": "VeryTight"}, "hash": "1328053828533783752466151858047953172646130339264132668638221079979218335887074736637000313502836461884520749173598178212731509928431074724325188781693247", "id": "MD_1328053828533783752466151"}
PO_1001842029856140680809724
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2025-04-16T16:33:14
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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data/MD/4660/MD_1284223600491296902524660.json
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{"basis-set": "6-311G*", "input": {"Integral": "Grid=UltraFine", "SCF": "VeryTight"}, "hash": "1328053828533783752466151858047953172646130339264132668638221079979218335887074736637000313502836461884520749173598178212731509928431074724325188781693247", "id": "MD_1328053828533783752466151"}
PO_1001854262251804319790474
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2025-04-16T18:56:45
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
-5,215.119554
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2025-04-16T21:23:51
DS_wqezpu0pw9io_0
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2025-04-16T20:04:47
DS_wqezpu0pw9io_0
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Gaussian 09
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2025-04-17T17:56:16
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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2025-04-16T20:22:06
DS_wqezpu0pw9io_0
1
Gaussian 09
DFT-PBE0
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