Main public logs

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20:39, 18 March 2014 Fv611 talk contribs uploaded a new version of File:BoatTS QST2optimisation altgeometry.mol
20:37, 18 March 2014 Fv611 talk contribs uploaded File:BoatTS QST2 altgeometry structure.PNG
20:32, 18 March 2014 Fv611 talk contribs uploaded File:CHAIRTS FROZENCOORDINATES SECONDSTEP OPTFREQ.LOG
20:10, 18 March 2014 Fv611 talk contribs uploaded File:BoatTS QST2optimisation altgeometry.mol
20:07, 18 March 2014 Fv611 talk contribs uploaded File:BoatTS QST2 altgeometry input.PNG
19:14, 18 March 2014 Fv611 talk contribs uploaded File:BOATTS QST2OPTIMISATION.LOG
19:11, 18 March 2014 Fv611 talk contribs uploaded File:BoatTS failed checkpointstructure.PNG
16:14, 18 March 2014 Fv611 talk contribs uploaded File:FV boat numbering.png
11:27, 18 March 2014 Fv611 talk contribs uploaded File:ChairTS frozencoordinates step43 opt.PNG
10:16, 18 March 2014 Fv611 talk contribs uploaded File:CHAIRTS FROZENCOORDINATES IRC STEP43 OPTIMISATION.mol
10:11, 18 March 2014 Fv611 talk contribs uploaded File:CHAIRTS FROZENCOORDINATES IRC STEP43 OPTIMISATION.LOG
20:04, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS frozencoordinates paths.PNG
19:48, 17 March 2014 Fv611 talk contribs uploaded a new version of File:ChairTS frozencoordinates IRC.gif
19:38, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS frozencoordinates IRC.gif
16:37, 17 March 2014 Fv611 talk contribs uploaded File:CHAIRTS HESSIAN IRC STEP44 OPTIMISATION.LOG
16:35, 17 March 2014 Fv611 talk contribs uploaded File:CHAIRTS HESSIAN IRC STEP44 OPTIMISATION.mol
16:34, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS step44 optimisedstructure.PNG
16:25, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS IRC path.PNG
15:36, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS hessian IRC.gif
14:33, 17 March 2014 Fv611 talk contribs uploaded File:Frozencoordinates beforeandafteroptimisation.PNG
13:59, 17 March 2014 Fv611 talk contribs uploaded File:CHAIRTS FROZENCOORDINATES SECONDOPTIMISATION.LOG
13:39, 17 March 2014 Fv611 talk contribs uploaded File:CHAIRTS FROZENCOORDINATES.LOG
13:38, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS frozencoordinates.chk
12:28, 17 March 2014 Fv611 talk contribs uploaded a new version of File:ChairTS hessian negvibration.gif
12:17, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS hessian negvibration.gif
11:51, 17 March 2014 Fv611 talk contribs uploaded File:CHAIRTS HESSIAN.LOG
11:48, 17 March 2014 Fv611 talk contribs uploaded File:CHAIRTS HESSIAN.mol
11:47, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS hessian optimisedstructure.PNG
11:00, 17 March 2014 Fv611 talk contribs uploaded File:ChairTS guessstructure highlighted.PNG
10:56, 17 March 2014 Fv611 talk contribs uploaded File:Allylfragment optimisedstructure.PNG
18:17, 16 March 2014 Fv611 talk contribs uploaded File:ANTI2 FREQUENCY.LOG
18:17, 16 March 2014 Fv611 talk contribs uploaded File:ANTI2 631GD FREQUENCY 0.LOG
18:17, 16 March 2014 Fv611 talk contribs uploaded File:ANTI2 631GD FREQUENCY.LOG
18:17, 16 March 2014 Fv611 talk contribs uploaded File:ANIT2 HF 0K.LOG
16:32, 16 March 2014 Fv611 talk contribs uploaded a new version of File:Anti2 HF irspectrum.PNG
16:32, 16 March 2014 Fv611 talk contribs uploaded a new version of File:Anti2 HF 0K irspectrum.PNG
16:32, 16 March 2014 Fv611 talk contribs uploaded a new version of File:Anti2 DFT irspectrum.PNG
16:32, 16 March 2014 Fv611 talk contribs uploaded a new version of File:Anti2 DFT 0K irspectrum.PNG
16:31, 16 March 2014 Fv611 talk contribs uploaded File:Anti2 HF irspectrum.PNG
16:31, 16 March 2014 Fv611 talk contribs uploaded File:Anti2 HF 0K irspectrum.PNG
16:31, 16 March 2014 Fv611 talk contribs uploaded File:Anti2 DFT irspectrum.PNG
16:31, 16 March 2014 Fv611 talk contribs uploaded File:Anti2 DFT 0K irspectrum.PNG
16:11, 16 March 2014 Fv611 talk contribs uploaded File:ANTI2 631GD OPTIMISATION.mol
16:09, 16 March 2014 Fv611 talk contribs uploaded File:Anti2 631Gd optimisedstructure.PNG
16:00, 16 March 2014 Fv611 talk contribs uploaded File:Anti2 optimisedstructure.PNG
15:59, 16 March 2014 Fv611 talk contribs uploaded File:FV ANTI2.mol
15:57, 16 March 2014 Fv611 talk contribs uploaded File:ANTI2 631GD OPTIMISATION.LOG
15:57, 16 March 2014 Fv611 talk contribs uploaded File:FV ANTI2.LOG
15:48, 16 March 2014 Fv611 talk contribs uploaded File:Gauche3 geffect.PNG
14:16, 15 March 2014 Fv611 talk contribs uploaded File:GAUCHE3.mol