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c5e680b63a
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Update outputs
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2020-11-19 10:52:40 +01:00 |
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ab67b8b224
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Update outpus
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2020-11-18 10:01:08 +01:00 |
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21a4c1d900
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Add localization failed slurm file
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2020-11-17 10:16:13 +01:00 |
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bb8aada7f2
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Add preparation files for localization of cyclopentadiene
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2020-11-17 10:13:38 +01:00 |
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4a439546c5
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update output and new calculation pyridine and pyrimidine
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2020-11-08 12:08:44 +01:00 |
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4aeba658f6
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Update output files
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2020-11-05 11:14:40 +01:00 |
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c9b5d4a455
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Update cyclopentadiene and imidazole
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2020-11-04 08:56:32 +01:00 |
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186ff52171
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out update
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2020-11-03 10:20:46 +01:00 |
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f06a8b89b2
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Update out
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2020-10-29 14:57:16 +01:00 |
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b8ca07ea4a
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Add all out for cyclopentadiene
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2020-10-28 11:22:31 +01:00 |
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bc3ddcd73d
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Add first outputs for cyclopentadiene cc-pvtz
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2020-10-27 11:20:24 +01:00 |
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3b8e94e102
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Add run and xyz for cyclopentadiene cc-pvtz
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2020-10-27 11:18:34 +01:00 |
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d1216bbb33
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Add firsts output of cyclopentadiene cc-pvdz
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2020-10-27 11:04:04 +01:00 |
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fbfb5d99d6
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Add cyclopentadiene.xyz
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2020-10-27 10:21:05 +01:00 |
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2487
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8924440d7f
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cyclopentadiene
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2020-10-27 09:42:09 +01:00 |
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