User contributions for Fkl08

14 December 2010

• 15:4715:47, 14 December 2010 diff hist +1 Rep:Mod:larona →'''Part A – Optimisation and Stimulation of MOs for Butadiene and Ethylene'''
• 15:4515:45, 14 December 2010 diff hist 0 N File:C2H2ohLUMO.png No edit summary current

12 December 2010

• 03:3703:37, 12 December 2010 diff hist 0 Rep:Mod:larona →'''Conclusion'''
• 03:3403:34, 12 December 2010 diff hist 0 Rep:Mod:larona →'''Part E – Comparing the calculated final energy of the anti-2 conformer with the energy given'''
• 03:3203:32, 12 December 2010 diff hist −11 Rep:Mod:larona →'''Part C – The study of the region-selectivity of the Diels Alder Reaction'''
• 03:2303:23, 12 December 2010 diff hist +23 Rep:Mod:larona →'''Part B – Optimisation of the Transition State'''
• 03:1903:19, 12 December 2010 diff hist +88 Rep:Mod:larona →'''Part B – Optimisation of the Transition State'''
• 03:1503:15, 12 December 2010 diff hist −10 Rep:Mod:larona →'''Part A – Optimisation and Stimulation of MOs for Butadiene and Ethylene'''
• 03:1203:12, 12 December 2010 diff hist +1 Rep:Mod:larona →'''The Diels Alder Cycloaddition'''
• 03:1103:11, 12 December 2010 diff hist −38 Rep:Mod:larona →'''Part G – Determination of Activation Energy'''
• 03:0903:09, 12 December 2010 diff hist +1 Rep:Mod:larona →'''Part G – Determination of Activation Energy'''
• 03:0803:08, 12 December 2010 diff hist 0 Rep:Mod:larona →'''Part F – IRC calculation of the chair conformation'''
• 03:0803:08, 12 December 2010 diff hist +11 Rep:Mod:larona →'''Part F – IRC calculation of the chair conformation'''
• 02:3302:33, 12 December 2010 diff hist −88 Rep:Mod:larona →'''Part E – Optimization of the Boat Conformation'''
• 02:2702:27, 12 December 2010 diff hist −75 Rep:Mod:larona →'''Part C & D - Optimization of the Chair Transition State using the Frozen Coordinate Method'''
• 02:0102:01, 12 December 2010 diff hist −234 Rep:Mod:larona →'''Part B – Optimization of the Chair Transition State using Hessian Calculation'''
• 01:5601:56, 12 December 2010 diff hist +1 Rep:Mod:larona →'''Part B – Optimization of the Chair Transition State using Hessian Calculation'''
• 01:5401:54, 12 December 2010 diff hist +3 Rep:Mod:larona →'''Part B – Optimization of the Chair Transition State using Hessian Calculation'''
• 01:5301:53, 12 December 2010 diff hist 0 Rep:Mod:larona →'''Part A – Optimisation of an allyl fragment'''
• 01:5201:52, 12 December 2010 diff hist −6 Rep:Mod:larona →'''Optimizing the “Chair” and “Boat” Transition Structures'''
• 01:5001:50, 12 December 2010 diff hist −48 Rep:Mod:larona →'''Part G – Frequency Analysis of the Optimized Anti-2 Conformer'''
• 01:4901:49, 12 December 2010 diff hist −7 Rep:Mod:larona →'''Part G – Frequency Analysis of the Optimized Anti-2 Conformer'''
• 01:4801:48, 12 December 2010 diff hist −1 Rep:Mod:larona →'''Part G – Frequency Analysis of the Optimized Anti-2 Conformer'''
• 01:4701:47, 12 December 2010 diff hist −4 Rep:Mod:larona →'''Part G – Frequency Analysis of the Optimized Anti-2 Conformer'''
• 01:3101:31, 12 December 2010 diff hist +2 Rep:Mod:larona →'''Part G – Frequency Analysis of the optimized anti conformer'''
• 01:3101:31, 12 December 2010 diff hist −4 Rep:Mod:larona →'''Part F – Re-optimization of Anti-2 Conformer using B3LYP/6-31G(d)'''
• 01:1501:15, 12 December 2010 diff hist −11 Rep:Mod:larona →'''Part F – Re-optimization of the anti-2 conformer using a better basis set'''
• 01:1001:10, 12 December 2010 diff hist +48 Rep:Mod:larona →'''Part C & D – Determination of the Lowest Energy Conformation'''
• 01:0801:08, 12 December 2010 diff hist −17 Rep:Mod:larona →'''Part C & D – Determination of the Lowest Energy Conformation'''
• 01:0601:06, 12 December 2010 diff hist −36 Rep:Mod:larona →'''Part C & D – Determination of the Lowest Energy Conformation'''
• 00:5900:59, 12 December 2010 diff hist 0 Rep:Mod:larona →'''The Cope Rearrangement'''
• 00:4500:45, 12 December 2010 diff hist −21 Rep:Mod:larona →'''Method and Basis Set Used'''
• 00:4400:44, 12 December 2010 diff hist +8 Rep:Mod:larona →'''Introduction'''
• 00:3600:36, 12 December 2010 diff hist +2 Rep:Mod:larona →''Conclusion''
• 00:2700:27, 12 December 2010 diff hist +1 Rep:Mod:larona →'''The Diels Alder Cycloaddition'''

11 December 2010

• 23:4723:47, 11 December 2010 diff hist +3 Rep:Mod:larona →'''The Cope Rearrangement'''
• 20:5420:54, 11 December 2010 diff hist +407 Rep:Mod:larona →'''Part A – Optimisation and Stimulation of MOs for Butadiene and Ethylene'''
• 20:5320:53, 11 December 2010 diff hist 0 N File:C2H2.mol No edit summary current
• 20:5220:52, 11 December 2010 diff hist 0 N File:Buta.mol No edit summary current
• 20:4620:46, 11 December 2010 diff hist +6 Rep:Mod:larona →'''Part C – The study of the region-selectivity of the Diels Alder Reaction'''
• 20:4520:45, 11 December 2010 diff hist 0 N File:Figure 27 fkl.jpg No edit summary current
• 20:0820:08, 11 December 2010 diff hist +831 Rep:Mod:larona →'''Part C – The study of the region-selectivity of the Diels Alder Reaction'''
• 20:0720:07, 11 December 2010 diff hist 0 N File:Exo fkl.mol No edit summary current
• 20:0420:04, 11 December 2010 diff hist 0 N File:MA fkl.mol No edit summary current
• 20:0320:03, 11 December 2010 diff hist 0 N File:Cyclo.mol No edit summary
• 20:0020:00, 11 December 2010 diff hist +229 Rep:Mod:larona →'''Part B – Optimisation of the Transition State'''
• 19:5919:59, 11 December 2010 diff hist 0 N File:DA TS fkl.mol No edit summary current
• 19:5319:53, 11 December 2010 diff hist 0 Rep:Mod:larona →'''Part A – Optimisation and Stimulation of MOs for Butadiene and Ethylene'''
• 19:5319:53, 11 December 2010 diff hist 0 N File:Endo fkl.mol No edit summary current
• 19:5119:51, 11 December 2010 diff hist +15 Rep:Mod:larona →'''Part A – Optimisation and Stimulation of MOs for Butadiene and Ethylene'''