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Date Name Thumbnail Size Description Versions
16:41, 11 December 2008 Rhodium adduct optimized.mol (file) 3 KB   1
16:00, 11 December 2008 Abby silvercomplex ir.jpg (file) 45 KB   1
15:40, 11 December 2008 Silver adduct optimized.mol (file) 1 KB   1
15:05, 11 December 2008 Abby third redphos.mol (file) 2 KB   1
14:55, 11 December 2008 MO diagram p2.jpg (file) 40 KB   2
14:43, 11 December 2008 P2 LUMO+2.jpg (file) 12 KB   1
14:39, 11 December 2008 P2 LUMO+1.jpg (file) 18 KB   1
14:39, 11 December 2008 P2 LUMO.jpg (file) 20 KB   1
14:39, 11 December 2008 P2 HOMO.jpg (file) 18 KB   1
14:38, 11 December 2008 P2 HOMO-1.jpg (file) 18 KB   1
14:38, 11 December 2008 P2 HOMO-2.jpg (file) 12 KB   1
14:37, 11 December 2008 P2 HOMO-3.jpg (file) 13 KB   1
14:37, 11 December 2008 P2 HOMO-4.jpg (file) 10 KB   1
14:28, 11 December 2008 MO diagram p2.JPG (file) 40 KB   3
13:06, 11 December 2008 P2 HOMO.JPG (file) 18 KB HOMO of P2 1
16:37, 8 December 2008 MO diagram BH3 2.jpg (file) 39 KB   1
16:32, 8 December 2008 MO diagram BH3.JPG (file) 35 KB   2
15:29, 8 December 2008 BH3 LUMO+3.jpg (file) 17 KB   1
15:29, 8 December 2008 BH3 LUMO+2.jpg (file) 16 KB   1
15:26, 8 December 2008 BH3 HOMO-3.jpg (file) 6 KB   1
13:15, 8 December 2008 Optimization of white phosphorus.JPG (file) 18 KB Summary of the optimization of white phosphorus 1
12:01, 8 December 2008 Screenshot dh3ammonia.jpg (file) 20 KB Summary of the optimization of d3h ammonia 1
12:00, 8 December 2008 Screenshot modifiedammonia summary.jpg (file) 19 KB Summary of the optimization of ammonia with one bond lengthened 1
11:59, 8 December 2008 Screenshot ammonia summary.jpg (file) 19 KB Summary of optimization of ammonia (c3v) 1
11:54, 8 December 2008 Screenshot dh3ammonia.JPG (file) 20 KB Summary of the optimization of D3h ammonia 1
11:53, 8 December 2008 Screenshot 6311gammonia summary.JPG (file) 19 KB Summary of the optimization calculation of ammonia with one bond lengthened 2
11:49, 8 December 2008 Screenshot ammonia summary.JPG (file) 19 KB The calculation summary of the optimization of ammonia using the 6-31G basis set and the B3LYP method. 1
14:56, 5 December 2008 Cis tm complex opt.mol (file) 3 KB The optimization of the cis transition metal complex 1
14:47, 5 December 2008 Tm complex opt.mol (file) 3 KB The optimized transition metal complex used to do the frequency analysis 1
14:27, 5 December 2008 Bh3 vibration6.jpg (file) 37 KB highest vibration of BH3 1
14:27, 5 December 2008 Bh3 vibration5.jpg (file) 39 KB 5th vibrations of BH3 1
14:26, 5 December 2008 Bh3 vibration4.jpg (file) 45 KB 4th vibration of BH3 1
14:25, 5 December 2008 Bh3 vibration3.jpg (file) 42 KB 3rd vibration of BH3 1
14:25, 5 December 2008 Bh3 vibration2.jpg (file) 37 KB 2nd vibration of BH3 1
12:41, 4 December 2008 Proton NMR help.jpg (file) 13 KB Picture of the riboside showing labelled protons 1
12:33, 4 December 2008 Poton NMR help.JPG (file) 13 KB Picture to explain the proton assignment in the ribosides 2
15:33, 2 December 2008 IR of the beta anomer.jpg (file) 74 KB The predicted IR of the beta anomer 1
15:31, 2 December 2008 IR of the beta anomer.JPG (file) 74 KB The IR spectrum of the beta anomer (don't really need to display the alpha anomer, as it is impossible to distinguish between the two diastereoisomers using IR spectroscopy) 1
15:21, 2 December 2008 Numbered carbons in beta anomer.jpg (file) 181 KB   2
14:38, 2 December 2008 Beta 13C NMR.jpg (file) 75 KB The predicted 13C NMR of the beta anomer 1
14:01, 2 December 2008 Alpha 13C NMR.jpg (file) 69 KB The predicted 12C NMR spectrum of the alpha anomer 1
13:55, 2 December 2008 Alpha 13C NMR.JPG (file) 69 KB The predicted 13C NMR spectrum of the alpha anomer 1
12:58, 30 November 2008 Chemical shift 7.jpg (file) 3 KB   1
12:58, 30 November 2008 Chemical shift 6.jpg (file) 3 KB   1
12:58, 30 November 2008 Chemical shift 5.jpg (file) 3 KB   1
12:57, 30 November 2008 Chemical shift 4.jpg (file) 3 KB   1
12:57, 30 November 2008 Chemical shift 1.jpg (file) 3 KB   1
12:57, 30 November 2008 Chemical shift 2.jpg (file) 3 KB   1
12:53, 30 November 2008 Chemical shift 3.jpg (file) 2 KB   1
12:49, 30 November 2008 Chemical shift 10.jpg (file) 3 KB   1
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