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Uploads by Yy3412

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Date Name Thumbnail Size Description Versions
17:01, 2 February 2015 YY NH3 OPT 631G DP.mol (file) 441 bytes   1
17:01, 2 February 2015 YY NH3 OPT 631G DP SUM.jpg (file) 60 KB   1
14:39, 2 February 2015 YY BH3 IR 1.jpg (file) 82 KB Reverted to version as of 14:36, 2 February 2015 6
14:24, 2 February 2015 YY BH3 OPT+FREQ.LOG (file) 44 KB   1
14:23, 2 February 2015 YY BH3 Opt+freq 1 SUM.jpg (file) 59 KB   1
14:00, 30 January 2015 YY BH3 FREQ.LOG (file) 26 KB   1
14:00, 30 January 2015 YY BH3 freq 1 SUM.jpg (file) 57 KB   1
11:12, 30 January 2015 YY BBr3 pp bs optimisation 1 SUM.jpg (file) 66 KB   1
11:12, 30 January 2015 YY BBr3 pp bs optimisation 1.mol (file) 477 bytes   1
17:55, 29 January 2015 YY GaBr3 pp optimisation 1.png (file) 62 KB   2
17:49, 29 January 2015 YY GaBr3 pp optimisation 1.mol (file) 466 bytes   1
17:22, 29 January 2015 YY BH3 opt 321g SUM.jpg (file) 58 KB   1
17:21, 29 January 2015 YY BH3 OPT 631G DP SUM.jpg (file) 60 KB   1
16:11, 29 January 2015 YY BH3 OPT 631G DP.LOG (file) 31 KB   1
16:10, 29 January 2015 YY BH3 OPT 631G DP.mol (file) 441 bytes   1
17:06, 27 January 2015 YY BH3 opt.mol (file) 441 bytes   1
17:04, 27 January 2015 YY BH3 opt sum.txt (file) 434 bytes   1
16:46, 27 January 2015 YY BH3 OPT.LOG (file) 69 KB   1
11:58, 7 November 2014 Exo DA opt+freq QST2 P.mol (file) 2 KB   1
11:55, 7 November 2014 YYT EXO TS.gif (file) 275 KB   1
11:55, 7 November 2014 EXO DA IR.svg (file) 30 KB   1
11:55, 7 November 2014 Exo DA opt+freq QST2 R.mol (file) 2 KB   1
11:47, 7 November 2014 YYT ENDO TS.gif (file) 311 KB   1
11:46, 7 November 2014 ENDO DA IR.svg (file) 28 KB   1
11:46, 7 November 2014 Endo DA opt+freq QST2 product.mol (file) 2 KB   1
11:46, 7 November 2014 Endo DA opt+freq QST2 reactant.mol (file) 2 KB   1
11:37, 7 November 2014 YYT DA PATH.svg (file) 26 KB   1
11:26, 7 November 2014 YYT DA HOMO.jpg (file) 72 KB   1
11:25, 7 November 2014 YYT DA TS IR.jpg (file) 82 KB   1
11:25, 7 November 2014 YYT DA TS.gif (file) 346 KB   1
11:11, 7 November 2014 YYT prototype DA opt+freq QST2.mol (file) 2 KB   1
11:10, 7 November 2014 YYT reactant DA.mol (file) 2 KB   1
10:48, 7 November 2014 YYT react ci anti2 DFT.mol (file) 2 KB   1
10:28, 7 November 2014 YYT react ci anti2.mol (file) 2 KB   1
10:27, 7 November 2014 YYT react lowest energy.mol (file) 2 KB   1
10:27, 7 November 2014 YYT react gauche.mol (file) 2 KB   1
10:27, 7 November 2014 YYT react anti.mol (file) 2 KB   1
09:21, 7 November 2014 YYT LUMO CIS BUTADIENE.jpg (file) 60 KB   1
09:21, 7 November 2014 YYT HOMO CIS BUTADIENE.jpg (file) 60 KB   1
08:54, 7 November 2014 YYT Boat IR2.jpg (file) 82 KB   1
08:54, 7 November 2014 YYT Boat IR.jpg (file) 82 KB   1
08:53, 7 November 2014 YYT boat freq animation2.gif (file) 239 KB   1
08:53, 7 November 2014 YYT boat freq animation1.gif (file) 205 KB   1
08:48, 7 November 2014 YYT CHAIR freq animation.gif (file) 244 KB   3
08:04, 7 November 2014 YYT Ci freq animation.gif (file) 108 KB   2
07:59, 7 November 2014 YYT CHAIR IR2.jpg (file) 89 KB   1
07:57, 7 November 2014 YYT CHAIR freq animation2.gif (file) 285 KB   1
07:04, 7 November 2014 YYT CHAIR IR.jpg (file) 89 KB   1
05:28, 7 November 2014 YYT Ci IR.jpg (file) 80 KB   1
02:52, 7 November 2014 YYT anti4.jpg (file) 64 KB   1
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