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19:50, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 BUTADIENE B3LYP OPT.LOG
19:43, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 ETHYLENE B3LYP FREQ.LOG
19:42, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 ETHYLENE B3LYP OPT.LOG
19:41, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 ETHYLENE B3LYP OPT.mol
19:39, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 ETHYLENE B3LYP OPT.LOG
19:30, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 Butadiene+EthyleneRxn.png
15:07, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 HowQST2works.png
14:10, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 Schrodinger.png
13:56, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 SimplifiedTaylorExpansion2.png
13:55, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 TaylorExpansion2.png
13:53, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 TaylorExpansion2.png
13:48, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 HessianConversion.png
13:43, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 MAsscoords.png
13:37, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 DiagonalisationOfHessian.png
13:32, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 SimplifiedTaylorExpansion2.png
13:31, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 TaylorExpansion2.png
13:22, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 SimplifiedTaylorExpansion2.png
13:21, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 TaylorExpansion2.png
13:17, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 NuclearSchrodinger.png
11:31, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 SimpleSystem.png
11:31, 24 March 2011 Bc608 talk contribs uploaded File:SimpleSystem.png
11:12, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 FrozenCoordinateMethodvsdirect.png
10:28, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 BernyTShowitworks.png
09:59, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 Hessian.png
09:58, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 DiagonalisationOfHessian.png
09:39, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 Hessian.png
09:30, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 GeneralTaylorexpansion.png
09:24, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 SimplifiedTaylorExpansion.png
09:22, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 SimplifiedTaylorExpansion.png
09:20, 24 March 2011 Bc608 talk contribs uploaded File:Bc608 TaylorExpansionAboutX0.png
11:20, 23 March 2011 Bc608 talk contribs uploaded File:Bc608 HowBernyTSOptimisationWorks.png
10:11, 23 March 2011 Bc608 talk contribs uploaded File:Bc608 DFT FREQ ANTICONF 0K.LOG
13:03, 22 March 2011 Bc608 talk contribs uploaded File:Bc608 IRC CALC WHATISHAPPENING.png
12:57, 22 March 2011 Bc608 talk contribs uploaded File:Bc608 IRC PES CALCULATIONS FORCECONSTANTALLVSGUESS.png
10:52, 22 March 2011 Bc608 talk contribs uploaded File:Bc608 Gauche3.mol
10:50, 22 March 2011 Bc608 talk contribs uploaded File:Bc608 GAUCHE3.LOG
10:09, 22 March 2011 Bc608 talk contribs uploaded File:Bc608 DihedralAngleOver360.png
16:01, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 TS FREQUENCY.LOG
15:12, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 BERNY TS OPT.mol
14:54, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 BERNY TS OPT.LOG
14:53, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 Starting geometry.mol
14:48, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 NORBORNENE PRECURSOR.mol
14:47, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 NORBORNENE PRECURSOR.LOG
11:51, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 Norbornene Start Structure.png
10:56, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 Ethylene LUMO.png
10:55, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 Ethylene HOMO.png
10:55, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 Butadiene LUMO.png
10:54, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 Butadiene HOMO.png
10:34, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 ETHYLENE AM1 FREQ.LOG
10:33, 21 March 2011 Bc608 talk contribs uploaded File:Bc608 ETHYLENE AM1 OPT.LOG