User contributions for Sdb10
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17 January 2013
- 13:2713:27, 17 January 2013 diff hist +41 Rep:Mod:altura No edit summary
- 13:1913:19, 17 January 2013 diff hist +48 N File:BBr3 optimisation log file.log Output file from the HPC calculated optimisation current
- 13:1813:18, 17 January 2013 diff hist +285 Rep:Mod:altura No edit summary
16 January 2013
- 15:1915:19, 16 January 2013 diff hist +139 Rep:Mod:altura No edit summary
- 15:0915:09, 16 January 2013 diff hist +10 Rep:Mod:altura No edit summary
- 15:0815:08, 16 January 2013 diff hist +89 Rep:Mod:altura No edit summary
- 15:0715:07, 16 January 2013 diff hist +42 N File:Optimised TlBr3 molecule.jpg Image showing the optimised TlBr3 molecule current
- 15:0615:06, 16 January 2013 diff hist −8 Rep:Mod:altura No edit summary
- 15:0615:06, 16 January 2013 diff hist +1 Rep:Mod:altura No edit summary
- 15:0515:05, 16 January 2013 diff hist +132 Rep:Mod:altura No edit summary
- 14:5414:54, 16 January 2013 diff hist +772 Rep:Mod:altura No edit summary
- 13:5213:52, 16 January 2013 diff hist +1 Rep:Mod:altura No edit summary
- 13:5113:51, 16 January 2013 diff hist +76 Rep:Mod:altura No edit summary
- 13:4813:48, 16 January 2013 diff hist +47 N File:Log 69227.log Output Log File for TlBr3 optimisation from HPC current
- 13:4013:40, 16 January 2013 diff hist +325 Rep:Mod:altura No edit summary
15 January 2013
- 17:1317:13, 15 January 2013 diff hist +43 Rep:Mod:altura No edit summary
- 17:1217:12, 15 January 2013 diff hist +105 N File:Corrected 6-31G optimisation.log Optimisation was performed with the correct starting structure so better energy calculation was obtained. current
- 17:1117:11, 15 January 2013 diff hist +559 Rep:Mod:altura No edit summary
- 15:5915:59, 15 January 2013 diff hist +56 Rep:Mod:altura No edit summary
- 15:5215:52, 15 January 2013 diff hist +63 N File:Sam Brookes BH3 second optimisation 6-31G.log Log File Sam Brookes Second BH3 optimisation; 6-31G orbital set current
- 14:5714:57, 15 January 2013 diff hist +140 Rep:Mod:altura No edit summary
- 14:5114:51, 15 January 2013 diff hist +2 Rep:Mod:altura No edit summary
- 14:3514:35, 15 January 2013 diff hist +174 Rep:Mod:altura No edit summary
- 14:3214:32, 15 January 2013 diff hist +52 Rep:Mod:altura No edit summary
- 13:5913:59, 15 January 2013 diff hist +329 Rep:Mod:altura No edit summary
- 13:2213:22, 15 January 2013 diff hist +113 Rep:Mod:altura No edit summary
- 13:0813:08, 15 January 2013 diff hist +298 Rep:Mod:altura No edit summary
- 12:5512:55, 15 January 2013 diff hist +285 Rep:Mod:altura No edit summary
- 12:5112:51, 15 January 2013 diff hist +2 Rep:Mod:altura No edit summary
- 12:5012:50, 15 January 2013 diff hist +328 Rep:Mod:altura No edit summary
14 January 2013
- 18:3118:31, 14 January 2013 diff hist +79 Rep:Mod:altura No edit summary
- 17:3817:38, 14 January 2013 diff hist +5 Rep:Mod:altura No edit summary
- 17:3817:38, 14 January 2013 diff hist +118 Rep:Mod:altura →Computational Chemistry
- 17:1517:15, 14 January 2013 diff hist +4 Rep:Mod:altura →Computational Chemistry
- 17:1017:10, 14 January 2013 diff hist +2 Rep:Mod:altura No edit summary
- 17:0817:08, 14 January 2013 diff hist −1 Rep:Mod:altura No edit summary
- 17:0717:07, 14 January 2013 diff hist +1 Rep:Mod:altura No edit summary
- 17:0217:02, 14 January 2013 diff hist +51 Rep:Mod:altura No edit summary
- 16:5316:53, 14 January 2013 diff hist +30 Rep:Mod:altura No edit summary
- 16:5016:50, 14 January 2013 diff hist 0 File:BH3OPTIMISATION.LOG uploaded a new version of "File:BH3OPTIMISATION.LOG": .log file for BH3 optimisation
- 16:4916:49, 14 January 2013 diff hist +53 Rep:Mod:altura No edit summary
- 15:5115:51, 14 January 2013 diff hist +51 Rep:Mod:altura No edit summary
- 14:5514:55, 14 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 14:5414:54, 14 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 14:5414:54, 14 January 2013 diff hist +40 Rep:Mod:altura No edit summary
- 14:4714:47, 14 January 2013 diff hist +52 N File:Optimised borane molecule.jpg Ball and Stick model of an optimised borane molecule current
- 14:3714:37, 14 January 2013 diff hist +25 N File:Bh3optimisation.gjf Optimised Borane molecule
- 14:2614:26, 14 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 14:2614:26, 14 January 2013 diff hist +8 Rep:Mod:altura No edit summary
- 14:2514:25, 14 January 2013 diff hist +66 N Rep:Mod:altura Test Page