User contributions for Pb307

9 March 2010

• 11:2311:23, 9 March 2010 diff hist 0 N File:PIERRE BH3 FREQ.LOG No edit summary current
• 11:2111:21, 9 March 2010 diff hist 0 N File:PierreBh3 freq.mol No edit summary current
• 11:2111:21, 9 March 2010 diff hist 0 N File:PierreBh3 optimisation summary.jpg No edit summary current
• 11:2011:20, 9 March 2010 diff hist 0 N File:PierreBh3 optimisation graphs.jpg No edit summary current
• 11:2011:20, 9 March 2010 diff hist 0 N File:Bh3 nbo charges numbers.jpg No edit summary current
• 11:1911:19, 9 March 2010 diff hist 0 N File:Bh3 nbo charges color.jpg No edit summary current
• 11:1911:19, 9 March 2010 diff hist 0 N File:PierreBh3 mo summary.jpg No edit summary current
• 11:1911:19, 9 March 2010 diff hist 0 N File:PierreBh3 ir spectrum.jpg No edit summary current
• 11:1811:18, 9 March 2010 diff hist 0 N File:PierreBh3 freq summary.jpg No edit summary current

8 March 2010

• 17:4017:40, 8 March 2010 diff hist 0 N File:PierreBH3 color charge.jpg No edit summary current
• 14:3014:30, 8 March 2010 diff hist +1,391 Rep:Mod:osef-module2 No edit summary
• 13:0213:02, 8 March 2010 diff hist +164 Rep:Mod:osef-module2 →BH₃ - Optimisation and MO Analysis
• 13:0113:01, 8 March 2010 diff hist 0 N File:PIERRE BCL3 MO.LOG No edit summary current
• 11:4911:49, 8 March 2010 diff hist +76 Rep:Mod:osef-module2 No edit summary
• 11:4711:47, 8 March 2010 diff hist +458 N Rep:Mod:osef-module2 New page: A .com file containing a BH3 molecule was made in Gaussview. The structure of the BH3 molecule was then optimised in Gaussian using a b3lyp/3-21g basis set. The calculation successfully co...

5 March 2010

• 14:5014:50, 5 March 2010 diff hist +2 Rep:Mod:osef-module1 →Hydrogenation of cyclopentadiene dimers
• 14:4914:49, 5 March 2010 diff hist +38 Rep:Mod:osef-module1 →Hyperstability
• 14:4714:47, 5 March 2010 diff hist −37 Rep:Mod:osef-module1 →Diene vs. Dihydro derivative
• 14:4714:47, 5 March 2010 diff hist −12 Rep:Mod:osef-module1 No edit summary
• 14:4614:46, 5 March 2010 diff hist +768 Rep:Mod:osef-module1 →'''Basics of Molecular Mechanics '''
• 14:4114:41, 5 March 2010 diff hist 0 N File:Taxol up (chair) - hydrogenated.mol No edit summary current
• 14:3914:39, 5 March 2010 diff hist 0 N File:PierreTaxol down (chair) - hydrogenated.mol No edit summary current
• 14:1414:14, 5 March 2010 diff hist 0 N File:PierreNAD mechanism 2.png No edit summary current
• 14:1414:14, 5 March 2010 diff hist 0 N File:PierreNAD mechanism 1.png No edit summary current
• 13:5513:55, 5 March 2010 diff hist 0 N File:Pierredimer hydrogenation.png No edit summary current
• 13:5213:52, 5 March 2010 diff hist +84 Rep:Mod:osef-module1 →'''Basics of Molecular Mechanics '''
• 13:5113:51, 5 March 2010 diff hist 0 N File:Pierredimerisation reaction scheme.png No edit summary current
• 13:5013:50, 5 March 2010 diff hist +339 Rep:Mod:osef-module1 →Predicting geometries and hence regioselectivity of reactions using molecular mechanics
• 13:0513:05, 5 March 2010 diff hist +345 Rep:Mod:osef-module1 →'''Mini Project - Opening of ''trans''-1,2,4,5-diepoxycyclohexane using ''N''-methyl aniline'''
• 12:4112:41, 5 March 2010 diff hist +254 Rep:Mod:osef-module1 →'''Mini Project - Opening of ''trans''-1,2,4,5-diepoxycyclohexane using ''N''-methyl aniline'''
• 12:3912:39, 5 March 2010 diff hist +177 Rep:Mod:osef-module1 →1,3 diol

4 March 2010

• 15:1615:16, 4 March 2010 diff hist 0 N File:Pierre12-dihydro-spectrum.jpg No edit summary current
• 15:1515:15, 4 March 2010 diff hist 0 N File:Pierre12-spectrum.jpg No edit summary current
• 15:1415:14, 4 March 2010 diff hist 0 N File:Pierre12-LUMO.JPG No edit summary current
• 15:1315:13, 4 March 2010 diff hist 0 N File:Pierre12-HOMO.JPG No edit summary current
• 15:1215:12, 4 March 2010 diff hist +111 Rep:Mod:osef-module1 →Diene vs. Dihydro derivative
• 15:0315:03, 4 March 2010 diff hist +712 Rep:Mod:osef-module1 →Effect of substituents
• 14:2914:29, 4 March 2010 diff hist +406 Rep:Mod:osef-module1 →Effect of substituents
• 14:2614:26, 4 March 2010 diff hist 0 N File:Pierre 12.mol No edit summary current
• 14:2614:26, 4 March 2010 diff hist 0 N File:Pierre12 exohydroxyl.mol No edit summary current
• 14:2514:25, 4 March 2010 diff hist 0 N File:Pierre12 endohydroxyl.mol No edit summary current
• 13:0913:09, 4 March 2010 diff hist +8 Rep:Mod:osef-module1 →Effect of substituents
• 13:0413:04, 4 March 2010 diff hist +887 Rep:Mod:osef-module1 →'''Mini Project - Opening of ''trans''-1,2,4,5-diepoxycyclohexane using ''N''-methyl aniline'''
• 12:3312:33, 4 March 2010 diff hist +172 Rep:Mod:osef-module1 →Reaction Mechanism and its implications
• 12:3112:31, 4 March 2010 diff hist +176 Rep:Mod:osef-module1 →Reaction Mechanism and its implications
• 12:3012:30, 4 March 2010 diff hist 0 N File:Pierremechanism.jpg No edit summary current
• 12:1112:11, 4 March 2010 diff hist 0 N File:Pierrestabilised intermediate.png No edit summary current
• 12:0712:07, 4 March 2010 diff hist 0 N File:Pierremechanism.png No edit summary current
• 11:5711:57, 4 March 2010 diff hist +2 Rep:Mod:osef-module1 →1,3 diol
• 11:5611:56, 4 March 2010 diff hist 0 N File:Pierreconf3.png No edit summary current