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17:10, 22 February 2010 Lw507 talk contribs uploaded File:CIS BUTADIENE DFT 6-31G.LOG
17:09, 22 February 2010 Lw507 talk contribs uploaded File:CIS BUTADIENE 31G.LOG
17:08, 22 February 2010 Lw507 talk contribs uploaded File:CIS BUTADIENE.LOG
17:04, 22 February 2010 Lw507 talk contribs uploaded File:HOMO 631G.JPG
17:03, 22 February 2010 Lw507 talk contribs uploaded File:HOMO AM1.JPG
17:02, 22 February 2010 Lw507 talk contribs uploaded File:LUMO 631G.JPG
17:02, 22 February 2010 Lw507 talk contribs uploaded File:LUMO AM1.JPG
16:09, 22 February 2010 Lw507 talk contribs uploaded File:Summary dielsalder cisbutadiene.JPG
16:06, 22 February 2010 Lw507 talk contribs uploaded File:Cis butadiene DFT.JPG
16:03, 22 February 2010 Lw507 talk contribs uploaded File:Cis butadiene 321G.JPG
15:58, 22 February 2010 Lw507 talk contribs uploaded File:Cis butadiene AM1.JPG
21:30, 21 February 2010 Lw507 talk contribs uploaded File:CHAIR TS B3LYP.LOG
21:28, 21 February 2010 Lw507 talk contribs uploaded File:BOAT OPT TS B3LYP.LOG
21:23, 21 February 2010 Lw507 talk contribs uploaded File:CHAIR TS OPT+FREQ,FREEZE.LOG
21:22, 21 February 2010 Lw507 talk contribs uploaded File:CHAIR TS OPT+FREQ.LOG
21:19, 21 February 2010 Lw507 talk contribs uploaded File:REACT COPE ANTI 2 DFT.LOG
21:03, 21 February 2010 Lw507 talk contribs uploaded File:631G 321G comp chair.JPG
20:57, 21 February 2010 Lw507 talk contribs uploaded File:631G 321G comp boat.JPG
20:54, 21 February 2010 Lw507 talk contribs uploaded File:B3LYP chair.JPG
20:53, 21 February 2010 Lw507 talk contribs uploaded File:B3LYP boat.JPG
20:38, 21 February 2010 Lw507 talk contribs uploaded File:Summary forceeverystep IRC.JPG
20:35, 21 February 2010 Lw507 talk contribs uploaded File:Force everystep IRC.JPG
20:21, 21 February 2010 Lw507 talk contribs uploaded File:Irc50 minimisation.JPG
20:10, 21 February 2010 Lw507 talk contribs uploaded File:IRC 50.JPG
19:27, 21 February 2010 Lw507 talk contribs uploaded File:321G comparison boat chair.JPG
19:22, 21 February 2010 Lw507 talk contribs uploaded File:Boat ts opt and freq.JPG
19:14, 21 February 2010 Lw507 talk contribs uploaded File:Opt and freq boat.mol
19:08, 21 February 2010 Lw507 talk contribs uploaded File:Boat ts QTS2 optandfreq.JPG
19:02, 21 February 2010 Lw507 talk contribs uploaded File:Boat proper conf.JPG
18:44, 21 February 2010 Lw507 talk contribs uploaded File:Fail boat.JPG
18:27, 21 February 2010 Lw507 talk contribs uploaded File:QTS2 anti-2 reactandprod.JPG
16:50, 21 February 2010 Lw507 talk contribs uploaded File:Results summary freeze comparison.JPG
16:42, 21 February 2010 Lw507 talk contribs uploaded File:Chair ts optandfreqfrozen.JPG
15:15, 21 February 2010 Lw507 talk contribs uploaded File:Cope aromatic mechanism.JPG
15:11, 21 February 2010 Lw507 talk contribs uploaded File:Cope aromatic mechanism.JPG
14:53, 21 February 2010 Lw507 talk contribs uploaded File:Chair opt+freq ts .mol
14:47, 21 February 2010 Lw507 talk contribs uploaded File:Chair opt+freq ts .mol
14:35, 21 February 2010 Lw507 talk contribs uploaded File:Freq analysis chair ts.JPG
14:09, 21 February 2010 Lw507 talk contribs uploaded File:Results summary ts optfreq chair.JPG
14:02, 21 February 2010 Lw507 talk contribs uploaded File:Chair ts optandfreq.JPG
12:32, 21 February 2010 Lw507 talk contribs uploaded File:Chair ts guess .bmp
21:11, 20 February 2010 Lw507 talk contribs uploaded File:IR hexadiene anti 2.JPG
19:20, 20 February 2010 Lw507 talk contribs uploaded File:Results summary DFT HF anti 2.JPG
18:16, 20 February 2010 Lw507 talk contribs uploaded File:Results summary gauche 3.JPG
18:15, 20 February 2010 Lw507 talk contribs uploaded File:Results summary anti 2.JPG
18:08, 20 February 2010 Lw507 talk contribs uploaded File:Gauche 3 hexadiene.JPG
18:02, 20 February 2010 Lw507 talk contribs uploaded File:Anti 2 hexadiene.JPG
17:32, 20 February 2010 Lw507 talk contribs uploaded File:Gaucheanti confomers.JPG
16:49, 20 February 2010 Lw507 talk contribs uploaded File:Chem draw cope mech.JPG
16:50, 10 February 2010 Lw507 talk contribs uploaded File:Cisplatin 2DZ.JPG