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Uploads by As12713

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Date Name Thumbnail Size Description Versions
19:04, 8 February 2016 MgO Internal Energy AS12713.out (file) 6 KB   1
18:30, 8 February 2016 MgO Conventional Cell AS12713.png (file) 113 KB   1
18:29, 8 February 2016 MgO Primitive Unit Cell AS12713.png (file) 46 KB   1
11:37, 2 February 2016 AS12713 MgO Phonondispersion.png (file) 7 KB   1
11:34, 2 February 2016 AS12713 MgO 3.disp (file) 7 KB   1
18:49, 19 November 2015 AS12713 ENDO Numbering.jpg (file) 348 KB   1
18:48, 19 November 2015 AS12713 EXO Numbering.jpg (file)
Error creating thumbnail: File with dimensions greater than 12.5 MP
500 KB   1
17:26, 19 November 2015 AS12713 ENDO DA SE AM1 3.LOG (file) 1.46 MB   1
17:21, 19 November 2015 AS12713 ENDO LUMO.jpg (file) 21 KB   1
17:21, 19 November 2015 AS12713 ENDO HOMO.jpg (file) 23 KB   1
17:20, 19 November 2015 AS12713 ENDO QST2.jpg (file) 44 KB   1
16:52, 19 November 2015 AS12713 EXO LUMO.jpg (file) 29 KB   1
16:52, 19 November 2015 AS12713 EXO HOMO.jpg (file) 30 KB   1
16:48, 19 November 2015 AS12713 EXO DA SE AM1 3.LOG (file) 1.64 MB   1
16:48, 19 November 2015 AS12713 Exo TS.jpg (file) 44 KB   1
16:31, 19 November 2015 AS12713 DA MA LUMO.jpg (file) 21 KB   1
16:30, 19 November 2015 AS12713 DA MA HOMO.jpg (file) 19 KB   1
16:27, 19 November 2015 AS12713 MALANHYDRIDE OPT SE AM1 3.LOG (file) 120 KB   1
16:26, 19 November 2015 AS12713 Maleic opt.jpg (file) 44 KB   1
16:18, 19 November 2015 AS12713 DA CHMA LUMO.jpg (file) 28 KB   1
16:18, 19 November 2015 AS12713 DA CHMA HOMO.jpg (file) 21 KB   1
15:58, 19 November 2015 AS12713 CYCLOHEXDIENE OPT SE AM1 3.LOG (file) 210 KB   1
15:55, 19 November 2015 AS12713 Cyclohexadiene opt.jpg (file) 44 KB   1
15:29, 19 November 2015 AS12713 TS Dielsalder numbering.jpg (file)
Error creating thumbnail: File with dimensions greater than 12.5 MP
483 KB   1
14:49, 19 November 2015 AS12713 TS LUMO.jpg (file) 28 KB   1
14:48, 19 November 2015 AS12713 TS HOMO.jpg (file) 36 KB   1
14:46, 19 November 2015 AS12713 TS Dielsalder.jpg (file) 48 KB   1
14:44, 19 November 2015 AS12713 DA BUTAETHENE OPTFREQ SE AM1 2.LOG (file) 440 KB   1
14:31, 19 November 2015 AS12713 Cisbutadiene LUMO.jpg (file) 23 KB   1
14:30, 19 November 2015 AS12713 Cisbutadiene HOMO.jpg (file) 23 KB   1
14:26, 19 November 2015 AS12713 CIS BUTADIENE OPT SE AM1.LOG (file) 83 KB   1
14:25, 19 November 2015 AS12713 Cisbutadiene opt.jpg (file) 44 KB   1
14:11, 19 November 2015 AS12713 Ethene LUMO.jpg (file) 20 KB   1
14:11, 19 November 2015 AS12713 Ethene HOMO.jpg (file) 21 KB   1
13:59, 19 November 2015 AS12713 ETHENE OPT SE AM1.LOG (file) 70 KB   1
13:58, 19 November 2015 AS12713 Ethene opt.jpg (file) 48 KB   1
13:35, 19 November 2015 AS12713 Diels-Alder2.jpg (file) 51 KB   1
13:35, 19 November 2015 AS12713 Diels-Alder1.jpg (file) 23 KB   1
19:40, 18 November 2015 AS12713 Boat optfreq B3LYP (G).out (file) 259 KB   1
19:39, 18 November 2015 AS12713 Boat optfreq B3LYP G.jpg (file) 49 KB   1
19:26, 18 November 2015 AS12713 Chair optfreq B3LYP (G).out (file) 340 KB   1
19:26, 18 November 2015 AS12713 Chair optfreq B3LYP G.jpg (file) 49 KB   1
17:42, 18 November 2015 AS12713 IRC RMSGrad.jpg (file) 291 KB   1
17:41, 18 November 2015 AS12713 IRC totalenergy.jpg (file) 266 KB   1
17:13, 18 November 2015 AS12713 REACT NUMBERING QST2 PROPER.LOG (file) 423 KB   1
17:07, 18 November 2015 AS12713 QST2 numbering proper resultssumm.jpg (file) 54 KB   1
16:59, 18 November 2015 AS12713 Product QST2 numbering proper.jpg (file) 288 KB   1
16:58, 18 November 2015 AS12713 Reactant QST2 numbering proper.jpg (file) 265 KB   1
16:53, 18 November 2015 AS12713 Reactant QST2 numbering TS Chair.jpg (file)
Error creating thumbnail: File with dimensions greater than 12.5 MP
470 KB   1
16:46, 18 November 2015 AS12713 Product QST2 numbering.jpg (file) 251 KB   1
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