Main public logs

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16:09, 12 November 2010 Shl108 talk contribs uploaded File:Exoproduct.gjf
15:57, 12 November 2010 Shl108 talk contribs uploaded File:Secondary.jpg
15:41, 12 November 2010 Shl108 talk contribs uploaded File:Exoproduct.mol2
15:40, 12 November 2010 Shl108 talk contribs uploaded File:Endoproduct.mol2
14:56, 12 November 2010 Shl108 talk contribs uploaded File:Vibrationpositive.png
12:42, 12 November 2010 Shl108 talk contribs uploaded File:CoordinateDerivative.gif
12:27, 12 November 2010 Shl108 talk contribs uploaded File:Coperearr.png
12:26, 12 November 2010 Shl108 talk contribs uploaded File:Coperea.jpg
11:50, 12 November 2010 Shl108 talk contribs uploaded File:GAUCHE3.LOG
11:47, 12 November 2010 Shl108 talk contribs uploaded File:GAUCHE3.mol2
20:34, 11 November 2010 Shl108 talk contribs uploaded File:ExoLUMO1.png
20:33, 11 November 2010 Shl108 talk contribs uploaded File:ExoLUMO.png
20:33, 11 November 2010 Shl108 talk contribs uploaded File:ExoLUMO.png
20:30, 11 November 2010 Shl108 talk contribs uploaded File:ExoHOMO.png
20:27, 11 November 2010 Shl108 talk contribs uploaded File:ExoLUMO.png
20:26, 11 November 2010 Shl108 talk contribs uploaded File:ExoHOMO.png
20:22, 11 November 2010 Shl108 talk contribs uploaded File:EndoHOMO.png
20:20, 11 November 2010 Shl108 talk contribs uploaded File:ENDOLUMO.png
19:59, 11 November 2010 Shl108 talk contribs uploaded File:DielsAlderVibration.png
18:22, 11 November 2010 Shl108 talk contribs uploaded File:DielAlderHOMO.png
18:21, 11 November 2010 Shl108 talk contribs uploaded File:DielsAlderLUMO.png
15:03, 9 November 2010 Shl108 talk contribs uploaded File:DielsAlderLUMO.png
15:02, 9 November 2010 Shl108 talk contribs uploaded File:DielAlderHOMO.png
14:58, 9 November 2010 Shl108 talk contribs uploaded File:DielsAlderVibration.png
14:49, 9 November 2010 Shl108 talk contribs uploaded File:DielsAlderQST2.png
13:48, 9 November 2010 Shl108 talk contribs uploaded File:EtheneLUMO.png
13:47, 9 November 2010 Shl108 talk contribs uploaded File:EtheneHOMO.png
13:43, 9 November 2010 Shl108 talk contribs uploaded File:ButadieneLUMO.png
13:42, 9 November 2010 Shl108 talk contribs uploaded File:ButadieneHOMO.png
18:25, 8 November 2010 Shl108 talk contribs uploaded File:Anti2HFopt0K.out
18:25, 8 November 2010 Shl108 talk contribs uploaded File:Anti2HFopt.out
18:24, 8 November 2010 Shl108 talk contribs uploaded File:Anti2HFopt.gjf
18:22, 8 November 2010 Shl108 talk contribs uploaded File:BoatoptDFT0K.out
18:22, 8 November 2010 Shl108 talk contribs uploaded File:BoatoptDFT.out
18:22, 8 November 2010 Shl108 talk contribs uploaded File:Boatopt0K.out
18:21, 8 November 2010 Shl108 talk contribs uploaded File:DFTChair0K.out
18:20, 8 November 2010 Shl108 talk contribs uploaded File:DFTChair.out
18:20, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSchair0K.out
18:19, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChair.out
16:48, 8 November 2010 Shl108 talk contribs uploaded File:RMS Gradient Norm along IRC2.png
16:46, 8 November 2010 Shl108 talk contribs uploaded File:Total Energy along IRC2.png
16:44, 8 November 2010 Shl108 talk contribs uploaded File:Calculating force Always.png
16:15, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChairIRC1.png
16:15, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChairIRC.png
16:14, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChairIRC.png
16:13, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChairIRC.png
16:11, 8 November 2010 Shl108 talk contribs uploaded File:RMS Gradient Norm along IRC.png
16:09, 8 November 2010 Shl108 talk contribs uploaded File:Total Energy along IRC.png
16:07, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChairIRC.png
16:04, 8 November 2010 Shl108 talk contribs uploaded File:BerryTSChairIRC.png