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Uploads by Hmb07

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Date Name Thumbnail Size Description Versions
13:46, 8 February 2011 Mo(CO)4L2 trans initial optimised.jpg (file) 44 KB   1
13:46, 8 February 2011 Mo(CO)4L2 cis initial optimised.jpg (file) 45 KB   1
13:04, 8 February 2011 !MO Diagram.gif (file) 51 KB   1
12:09, 8 February 2011 !BH3 IR Spectrum.jpg (file) 135 KB   1
11:49, 8 February 2011 BH3 Frequency SCAN 36672.LOG (file) 45 KB   1
09:31, 8 February 2011 BH3 NBO charges.jpg (file) 45 KB   1
09:30, 8 February 2011 BH3 charge dist colours.jpg (file) 26 KB   1
07:46, 8 February 2011 BH3 MO's.jpg (file) 71 KB   1
07:46, 8 February 2011 BH3 MO' 7.jpg (file) 55 KB   1
07:46, 8 February 2011 BH3 MO' 6.jpg (file) 59 KB   1
07:45, 8 February 2011 BH3 MO' 5 LUMO.jpg (file) 41 KB   1
07:45, 8 February 2011 BH3 MO' 4 HOMO.jpg (file) 42 KB   1
07:45, 8 February 2011 BH3 MO' 3.jpg (file) 40 KB   1
07:45, 8 February 2011 BH3 MO' 2.jpg (file) 35 KB   1
07:44, 8 February 2011 BH3 MO' 1.jpg (file) 24 KB   1
07:31, 8 February 2011 TlBr3 opt Summary.jpg (file) 57 KB   1
07:25, 8 February 2011 TlBr3 optimised.mol (file) 443 bytes   1
07:25, 8 February 2011 TLBR3 OPTI.LOG (file) 43 KB   1
05:47, 8 February 2011 BH3 opt grad plot.jpg (file) 128 KB   1
05:47, 8 February 2011 BH3 opt total energy plot.jpg (file) 135 KB   1
05:47, 8 February 2011 BH3 opt step 4.jpg (file) 24 KB   1
05:47, 8 February 2011 BH3 opt step 3.jpg (file) 24 KB   1
05:47, 8 February 2011 BH3 opt step 2.jpg (file) 21 KB   1
05:46, 8 February 2011 BH3 opt step 1.jpg (file) 21 KB   1
05:05, 8 February 2011 BH3 opt Summary.jpg (file) 56 KB   1
04:28, 8 February 2011 BH3 OPTI.LOG (file) 46 KB   1
04:18, 8 February 2011 BH3 optimised.mol (file) 441 bytes   1
04:17, 8 February 2011 BH3 opti.jpg (file) 35 KB   1
00:46, 31 January 2011 MiniProject Intermediate 22b NMR Assignments.jpg (file) 54 KB   1
00:46, 31 January 2011 MinProject Intermediate 22b NMR Spectrum.jpg (file) 140 KB   1
00:45, 31 January 2011 MiniProject Intermediate 22a NMR Spectrum.jpg (file) 63 KB   1
00:45, 31 January 2011 MiniProject Intermediate 22a NMR Assignments.jpg (file) 21 KB   1
16:33, 29 January 2011 MiniProject Intermediate 22b Optimised.mol (file) 6 KB   1
16:33, 29 January 2011 MiniProject Intermediate 22b Optimised.jpg (file) 20 KB   1
16:33, 29 January 2011 MiniProject Intermediate 22a Optimised.mol (file) 6 KB   1
16:32, 29 January 2011 MiniProject Intermediate 22a Optimised.jpg (file) 17 KB   1
15:54, 29 January 2011 Reaction Scheme for MiniProject-22a and 22b.gif (file) 9 KB   1
13:06, 29 January 2011 Compound 13 Optimised IR Spectrum.jpg (file) 84 KB   1
13:06, 29 January 2011 Compound 12 Optimised IR Spectrum.jpg (file) 80 KB   1
18:19, 28 January 2011 Compound 13 MM2 MOPAC-PM6.jpg (file) 57 KB   1
18:19, 28 January 2011 !Compound 12 MM2 MOPAC-PM6.jpg (file) 28 KB   1
15:55, 28 January 2011 Compound 12 distances.jpg (file) 53 KB   1
12:56, 28 January 2011 Compound 12 MM2 MOPAC-PM6.mol (file) 2 KB   1
12:55, 28 January 2011 !Compound 12 LUMO+2.jpg (file) 30 KB   1
12:55, 28 January 2011 !Compound 12 LUMO+1.jpg (file) 30 KB   1
12:55, 28 January 2011 !Compound 12 LUMO.jpg (file) 32 KB   1
12:55, 28 January 2011 !Compound 12 HOMO-1.jpg (file) 33 KB   1
12:54, 28 January 2011 !Compound 12 HOMO.jpg (file) 32 KB   1
16:51, 26 January 2011 Taxol 10 twist-boat.mol (file) 4 KB   1
16:50, 26 January 2011 Taxol 10 twist-boat.jpg (file) 38 KB   1
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