User contributions for Yz908
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17 March 2011
- 15:4215:42, 17 March 2011 diff hist +35 Rep:Mod3:yz908 →Optimisation of Butadiene and Ethylene'''
- 15:4015:40, 17 March 2011 diff hist −508 Rep:Mod3:yz908 →Optimisation of Butadiene and Ethylene'''
- 15:3815:38, 17 March 2011 diff hist +125 Rep:Mod3:yz908 →Optimisation of Butadiene and Ethylene'''
- 15:3115:31, 17 March 2011 diff hist +3,100 Rep:Mod3:yz908 →Analysis of Diels Alder Cycloaddition
16 March 2011
- 19:4519:45, 16 March 2011 diff hist 0 Rep:Mod3:yz908 →Optimisation of Gauche Conformation
- 19:4519:45, 16 March 2011 diff hist 0 Rep:Mod3:yz908 →Optimisation of Anti Conformation
- 19:4419:44, 16 March 2011 diff hist −938 Rep:Mod3:yz908 →Analysis of Diels Alder Cycloaddition
- 19:3819:38, 16 March 2011 diff hist +1,061 Rep:Mod3:yz908 →Analysis of Diels Alder Cycloaddition
- 19:3719:37, 16 March 2011 diff hist +8 Rep:Mod3:yz908 →The Diels Alder Cycloaddition
- 19:3719:37, 16 March 2011 diff hist +1,528 Rep:Mod3:yz908 →Activation Energy Analysis
- 19:3419:34, 16 March 2011 diff hist −151 Rep:Mod3:yz908 →Activation Energy Analysis
- 19:2919:29, 16 March 2011 diff hist −180 Rep:Mod3:yz908 →'''Part G – Determination of Activation Energy'''
- 19:2719:27, 16 March 2011 diff hist +3 Rep:Mod3:yz908 →'''Part G – Determination of Activation Energy'''
- 19:2719:27, 16 March 2011 diff hist −1,050 Rep:Mod3:yz908 →'''Part G – Determination of Activation Energy'''
- 19:1319:13, 16 March 2011 diff hist 0 N File:Curve2 yz908.gif No edit summary current
- 19:1319:13, 16 March 2011 diff hist 0 N File:Curve1 yz908.gif No edit summary current
- 19:1319:13, 16 March 2011 diff hist 0 N File:2nd IRC yz908.gif No edit summary current
- 19:1219:12, 16 March 2011 diff hist 0 N File:1st IRC yz908.gif No edit summary current
- 19:1219:12, 16 March 2011 diff hist −2,616 Rep:Mod3:yz908 →Intrinsic Reaction Coordination
- 18:4218:42, 16 March 2011 diff hist +735 Rep:Mod3:yz908 →'''Part F – IRC Calculation of the Chair Conformation'''
- 18:3418:34, 16 March 2011 diff hist −911 Rep:Mod3:yz908 →Optimization of Boat Conformation
- 16:5216:52, 16 March 2011 diff hist 0 N File:Boat Conformation yz908.gif No edit summary current
- 16:5216:52, 16 March 2011 diff hist −440 Rep:Mod3:yz908 →'''Part E – Optimization of the Boat Conformation'''
- 16:4316:43, 16 March 2011 diff hist 0 N File:Frozen Coordinate Method yz908.gif No edit summary current
- 16:4316:43, 16 March 2011 diff hist −1,396 Rep:Mod3:yz908 →Optimization of the Chair Frozen Coordinate Method
- 16:3016:30, 16 March 2011 diff hist −61 Rep:Mod3:yz908 →'''Part C & D - Optimization of the Chair Transition State using the Frozen Coordinate Method'''
- 16:2816:28, 16 March 2011 diff hist 0 N File:Chair TS using Hessian yz908.gif No edit summary current
- 16:2716:27, 16 March 2011 diff hist −775 Rep:Mod3:yz908 →Optimization of Chair TS using Hessian Method'''
- 16:1616:16, 16 March 2011 diff hist −387 Rep:Mod3:yz908 →Optimization of Chair TS using Hessian Method'''
- 15:5615:56, 16 March 2011 diff hist 0 N File:Chair TSBerny yz908.gif No edit summary current
- 15:5615:56, 16 March 2011 diff hist 0 N File:Allyl Fragment yz908.gif No edit summary current
- 15:5515:55, 16 March 2011 diff hist −71 Rep:Mod3:yz908 →Optimisation of the “Chair” and “Boat” structures
- 15:3815:38, 16 March 2011 diff hist +16,860 Rep:Mod3:yz908 →Optimisation of the “Chair” and “Boat” structures
- 15:3815:38, 16 March 2011 diff hist +63 Rep:Mod3:yz908 →Frequency Analysis of Anti-2 Conformer
- 15:3515:35, 16 March 2011 diff hist 0 N File:Best energy yz908.gif No edit summary current
- 15:3515:35, 16 March 2011 diff hist +40 Rep:Mod3:yz908 →Frequency Analysis of Anti-2 Conformer
- 15:3215:32, 16 March 2011 diff hist 0 N File:Anti 2 IR yz908.gif No edit summary current
- 15:3215:32, 16 March 2011 diff hist −714 Rep:Mod3:yz908 →Frequency Analysis of Anti-2 Conformer
- 15:1715:17, 16 March 2011 diff hist +165 Rep:Mod3:yz908 →Optimisation of Anti-2 by B3LYP
- 11:5211:52, 16 March 2011 diff hist +1,579 Rep:Mod3:yz908 →Optimisation of Anti-2 by B3LYP
- 11:5111:51, 16 March 2011 diff hist +14 Rep:Mod3:yz908 →Optimisation of Anti-2 by B3LYP
- 11:5011:50, 16 March 2011 diff hist −41 Rep:Mod3:yz908 →Optimisation of Anti-2 by B3LYP
- 11:4711:47, 16 March 2011 diff hist 0 N File:Anti 2 Re yz908.gif No edit summary current
- 11:4711:47, 16 March 2011 diff hist −1,355 Rep:Mod3:yz908 →Optimisation of Anti-2 by B3LYP
- 11:3211:32, 16 March 2011 diff hist +3,415 Rep:Mod3:yz908 →Energy of Anti-2 Conformer
- 11:2711:27, 16 March 2011 diff hist −20 Rep:Mod3:yz908 →Energy of Anti-2 Conformer
- 11:2411:24, 16 March 2011 diff hist +783 Rep:Mod3:yz908 →Lowest Energy Conformation
- 11:1911:19, 16 March 2011 diff hist 0 N File:Gauche 3 yz908.gif No edit summary current
- 11:1911:19, 16 March 2011 diff hist 0 N File:Gauche 2 yz908.gif No edit summary current
- 11:1811:18, 16 March 2011 diff hist 0 N File:Gauche 1 yz908.gif No edit summary current