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Uploads by Hmb07

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
20:48, 20 February 2011 IRC failed E Grad.jpg (file) 104 KB   1
20:03, 20 February 2011 BOAT TS QST2 OPT 2.LOG (file) 722 KB   1
20:02, 20 February 2011 Boat TS QST2 optimised.jpg (file) 44 KB   1
19:58, 20 February 2011 Boat TS QST2 pre opt 2.jpg (file) 30 KB   1
19:44, 20 February 2011 BOAT TS QST2 OPT.LOG (file) 359 KB   1
19:42, 20 February 2011 Boat TS QST2 opt fail.jpg (file) 43 KB   1
19:27, 20 February 2011 Boat TS QST2 pre opt.jpg (file) 32 KB   1
16:52, 20 February 2011 CHAIR TS RCE PART2.LOG (file) 237 KB   1
16:50, 20 February 2011 Chair TS RCE part2.jpg (file) 60 KB   1
16:38, 20 February 2011 Chair TS pre opt.mol (file) 1 KB   1
16:19, 20 February 2011 CHAIR TS RCE.LOG (file) 210 KB   1
16:17, 20 February 2011 Chair TS RCE optimised.jpg (file) 70 KB   1
14:37, 20 February 2011 CHAIR TS HESSIAN.LOG (file) 307 KB   1
14:33, 20 February 2011 Chair TS Hessian optimised.jpg (file) 63 KB   1
14:16, 20 February 2011 Chair TS pre opt.jpg (file) 53 KB   1
14:02, 20 February 2011 ALLYL OPT HF.LOG (file) 127 KB   1
14:02, 20 February 2011 Allyl optimised HF.jpg (file) 47 KB   1
13:05, 20 February 2011 React anti2 IR Spectrum.jpg (file) 147 KB   1
12:48, 20 February 2011 DFT OPT REACT ANTI2.LOG (file) 139 KB   1
12:47, 20 February 2011 React anti2 DFT optimised.jpg (file) 65 KB   1
12:04, 20 February 2011 PRED LOWEST REACT OPT.LOG (file) 166 KB   1
12:03, 20 February 2011 React anti1 optimised.jpg (file) 65 KB   1
16:11, 19 February 2011 React gauche4 optimised.jpg (file) 63 KB   1
16:08, 19 February 2011 REACT GAUCHE OPT.LOG (file) 200 KB   1
15:49, 19 February 2011 React anti2 HF optimised.jpg (file) 67 KB   1
15:28, 19 February 2011 REACT ANTI OPT.LOG (file) 165 KB   1
18:28, 8 February 2011 BH3 PH3 main optimised.mol (file) 817 bytes   1
18:28, 8 February 2011 BH3 NMe3 main optimised.mol (file) 2 KB   1
18:27, 8 February 2011 BH3 NH3 main optimised.mol (file) 817 bytes   1
18:27, 8 February 2011 BH3 NF3 main optimised.mol (file) 826 bytes   1
18:27, 8 February 2011 BH3 PH3 main opt.jpg (file) 42 KB   1
18:26, 8 February 2011 BH3 NMe3 main opt.jpg (file) 53 KB   1
18:26, 8 February 2011 BH3 NH3 main opt.jpg (file) 41 KB   1
18:25, 8 February 2011 BH3 NF3 main optimised.jpg (file) 38 KB   1
18:11, 8 February 2011 BH3 NF3 initial optimised.jpg (file) 33 KB   1
18:10, 8 February 2011 BH3 NH3 initial optimised.jpg (file) 35 KB   1
16:56, 8 February 2011 MO(CO)4L2 trans IR Spectrum.jpg (file) 134 KB   1
16:56, 8 February 2011 MO(CO)4L2 cis IR Spectrum.jpg (file) 135 KB   1
14:54, 8 February 2011 !!!Mo(CO)4L2 cis main optimised.mol (file) 1 KB   1
14:48, 8 February 2011 !!Mo(CO)4L2 trans main optimised.mol (file) 1 KB   1
14:46, 8 February 2011 !!Mo(CO)L42 cis main optimised.mol (file) 1 KB   1
14:37, 8 February 2011 !Mo(CO)4L2 trans main optimised.mol (file) 1 KB   1
14:37, 8 February 2011 !Mo(CO)L42 cis main optimised.mol (file) 1 KB   1
14:21, 8 February 2011 Mo(CO)4L2 trans main optimised.mol (file) 1 KB   1
14:21, 8 February 2011 Mo(CO)L42 cis main optimised.mol (file) 1 KB   1
14:20, 8 February 2011 MO(CO)4L2 trans main opt.jpg (file) 49 KB   1
14:20, 8 February 2011 MO(CO)4L2 cis main opt.jpg (file) 49 KB   1
14:20, 8 February 2011 Mo(CO)4L2 cis main opt.gjf (file) 1 KB   1
14:03, 8 February 2011 MO(CO)4L2 trans pre main opt.jpg (file) 38 KB   1
14:02, 8 February 2011 MO(CO)4L2 cis pre main opt.jpg (file) 43 KB   1
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