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Uploads by Khl309

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Date Name Thumbnail Size Description Versions
12:20, 2 December 2011 TlBr3 Opt energygradient khl.JPG (file) 103 KB   1
12:20, 2 December 2011 TlBr3 Opt bondlength khl.JPG (file) 15 KB   1
12:20, 2 December 2011 TlBr3 Opt bondangle khl.JPG (file) 17 KB   1
16:59, 1 December 2011 BH3 chargeDistribution khl.JPG (file) 13 KB   1
16:59, 1 December 2011 BH3 NBOnumbers khl.JPG (file) 14 KB   1
13:25, 1 December 2011 Khl trans-MoComplex IR.jpg (file) 87 KB   1
13:24, 1 December 2011 Khl cis-MoComplex IR.jpg (file) 94 KB   1
11:36, 1 December 2011 BH3 MO khl.jpg (file) 132 KB   3
15:18, 30 November 2011 BH OPTIMISATION KHL.mol (file) 441 bytes   1
15:14, 30 November 2011 TLBR3 OPTIMISATION KHL.mol (file) 443 bytes   1
15:02, 30 November 2011 TlBr3 Freq 6thvibr khl.JPG (file) 14 KB   1
15:02, 30 November 2011 TlBr3 Freq 5thvibr khl.JPG (file) 17 KB   1
15:01, 30 November 2011 TlBr3 Freq 4thvibr khl.JPG (file) 17 KB   1
15:01, 30 November 2011 TlBr3 Freq 3rdvibr khl.JPG (file) 14 KB   1
15:01, 30 November 2011 TlBr3 Freq 2ndvibr khl.JPG (file) 15 KB   1
15:01, 30 November 2011 TlBr3 Freq 1stvibr khl.JPG (file) 14 KB   1
14:03, 30 November 2011 BH3 Freq 6thvibr khl.JPG (file) 13 KB   1
14:02, 30 November 2011 BH3 Freq 5thvibr khl.JPG (file) 13 KB   1
14:02, 30 November 2011 BH3 Freq 4thvibr khl.JPG (file) 13 KB   1
14:02, 30 November 2011 BH3 Freq 3rdvibr khl.JPG (file) 14 KB   1
14:02, 30 November 2011 BH3 Freq 2ndvibr khl.JPG (file) 14 KB   1
14:02, 30 November 2011 BH3 Freq 1stvibr khl.JPG (file) 14 KB   1
13:43, 30 November 2011 BH3 MO khl.1.JPG (file) 40 KB   1
15:51, 29 November 2011 BH3 Opt Stage4 khl.JPG (file) 13 KB   1
15:51, 29 November 2011 BH3 Opt Stage3 khl.JPG (file) 14 KB   1
15:51, 29 November 2011 BH3 Opt Stage2 khl.JPG (file) 13 KB   1
15:51, 29 November 2011 BH3 Opt Stage1 khl.JPG (file) 12 KB   1
15:27, 29 November 2011 Trans MoComplex Freq IR khl.jpg (file) 77 KB   1
15:27, 29 November 2011 Cis MoComplex Freq IR khl.jpg (file) 90 KB   1
14:43, 29 November 2011 TlBr3 Freq IR khl.jpg (file) 87 KB   1
14:08, 29 November 2011 BH3 Freq IR khl.jpg (file) 102 KB   1
13:32, 29 November 2011 BH3 Opt Gradient khl.jpg (file) 182 KB   1
13:32, 29 November 2011 BH3 Opt Energy khl.jpg (file) 191 KB   1
13:16, 25 November 2011 MP isomer B for NMR analysis.png (file) 14 KB   1
13:16, 25 November 2011 MP isomer A for NMR analysis.png (file) 11 KB   1
13:07, 25 November 2011 MP isomer B optimised by DFT khl.mol (file) 3 KB   1
13:07, 25 November 2011 MP isomer B optimised by DFT khl.jpg (file) 33 KB   1
13:07, 25 November 2011 MP isomer A optimised by DFT khl.mol (file) 3 KB   1
13:07, 25 November 2011 MP isomer A optimised by DFT khl.jpg (file) 27 KB   1
12:23, 25 November 2011 MP isomer B optimised by MM2 khl.jpg (file) 35 KB   1
12:21, 25 November 2011 MP isomer A optimised by MM2 khl.jpg (file) 31 KB   2
12:21, 25 November 2011 MP isomer A optimised by MM2 khl.mol (file) 2 KB   1
12:21, 25 November 2011 MP isomer B optimised by MM2 khl.mol (file) 3 KB   1
19:57, 24 November 2011 Glycosidation mechanism sequence khl.jpg (file) 29 KB   1
19:18, 24 November 2011 MP mechanism khl.png (file) 30 KB   2
18:40, 24 November 2011 MP isomer B khl.mol (file) 2 KB   1
18:40, 24 November 2011 MP isomer A khl.mol (file) 2 KB   1
18:37, 24 November 2011 MP isomer A khl.jpg (file) 48 KB   1
18:36, 24 November 2011 MP isomer B khl.jpg (file) 56 KB   1
18:26, 24 November 2011 Isomer B 13C NMR khl.png (file) 476 KB   1
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