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Uploads by Ss8810

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
15:53, 9 October 2012 BH3optimistaionsummary.PNG (file) 12 KB   1
16:08, 9 October 2012 TotalEnergyBH3.PNG (file) 21 KB   1
16:08, 9 October 2012 RMSGradientBH3.PNG (file) 27 KB   1
13:41, 10 October 2012 BH3optimistaion 631Gsummary.PNG (file) 12 KB   1
15:12, 10 October 2012 TotalEnergyBH3631G.PNG (file) 21 KB   1
11:36, 13 October 2012 TIBR2 OPT LANL2DZ D3H.mol (file) 443 bytes   1
11:44, 13 October 2012 TlBr3OptimisationSummary.PNG (file) 12 KB   1
11:56, 13 October 2012 BBr3 OPT GEN.mol (file) 442 bytes Reverted to version as of 21:18, 9 October 2012 3
12:23, 13 October 2012 BBr3 OPT GEN B3LYP 6-31G.mol (file) 441 bytes   2
14:25, 13 October 2012 BBr3optimisationsummary.PNG (file) 11 KB   1
17:24, 13 October 2012 SAJNI BH3 FREQ.LOG (file) 24 KB   1
17:32, 13 October 2012 Sajnishah bh3 freq.mol (file) 438 bytes BH3 frequency optimisation molecule 1
17:41, 13 October 2012 BH3 frequency summary.PNG (file) 12 KB   1
11:15, 14 October 2012 Freq3.PNG (file) 30 KB   1
11:15, 14 October 2012 Freq5.PNG (file) 30 KB   1
12:29, 14 October 2012 Infraredspectrum.PNG (file) 46 KB   1
12:49, 14 October 2012 TlBr3 freq summary.PNG (file) 12 KB   1
12:53, 14 October 2012 SAJNI TLBR3 FREQ datafile.txt (file) 28 KB   1
13:01, 14 October 2012 Sajni TlBr3 freq.mol (file) 440 bytes   1
13:21, 14 October 2012 Tfreq1.PNG (file) 20 KB   1
13:21, 14 October 2012 Tfreq2.PNG (file) 18 KB   1
13:21, 14 October 2012 Tfreq3.PNG (file) 19 KB   1
13:22, 14 October 2012 Tfreq4.PNG (file) 20 KB   1
13:22, 14 October 2012 Tfreq5.PNG (file) 18 KB   1
13:22, 14 October 2012 Tfreq6.PNG (file) 18 KB   1
13:23, 14 October 2012 TlBr3irspectrum.PNG (file) 47 KB   1
15:20, 14 October 2012 Bh3 mol orb.png (file) 125 KB   1
15:39, 14 October 2012 NH3 OPTIMISATION datafile.txt (file) 40 KB   1
15:51, 14 October 2012 Nh3 optimisation.mol (file) 441 bytes   1
16:04, 14 October 2012 SAJNI NH3 FREQ datafile.txt (file) 24 KB   1
16:26, 14 October 2012 NH3 MO datafile.txt (file) 57 KB   1
16:30, 14 October 2012 NH3 popanalysis summary.PNG (file) 12 KB   1
16:35, 14 October 2012 NH3 charge display.PNG (file) 34 KB   1
17:11, 14 October 2012 NH3BH3 optimisation.PNG (file) 42 KB   1
17:15, 14 October 2012 Nh3bh3 optimistaion.mol (file) 820 bytes   1
17:19, 14 October 2012 NH3BH3 OPTIMISTAION datafile.txt (file) 80 KB   1
17:25, 14 October 2012 Sajni nh3bh3 freq.mol (file) 817 bytes   1
17:31, 14 October 2012 SAJNI NH3BH3 FREQ datafile.txt (file) 35 KB   1
14:45, 16 October 2012 Benzene 321g optimisation.mol (file) 1 KB   1
14:49, 16 October 2012 Benzene 321g optimisation summary.PNG (file) 13 KB   1
16:27, 16 October 2012 BENZENE 631G OPTIMISATION.mol (file) 1 KB   1
16:29, 16 October 2012 Benzene 631g optimisation summary.PNG (file) 13 KB   1
12:15, 17 October 2012 Benzene 321g optimisation dspace summary.PNG (file) 14 KB   1
12:19, 17 October 2012 Benzene 631g optimisation dspace summary.PNG (file) 13 KB   1
12:49, 17 October 2012 Benzene freque summary.PNG (file) 12 KB   1
15:07, 17 October 2012 Benzene freq.mol (file) 1 KB   1
16:39, 17 October 2012 Benzene nbo summary.PNG (file) 11 KB   1
16:46, 17 October 2012 Benzene nbo charges.PNG (file) 35 KB   1
15:36, 18 October 2012 Boratabenzene 321g opt summary.PNG (file) 12 KB   2
15:37, 18 October 2012 Boratabenzene 321g opt.mol (file) 1 KB   2
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