User contributions for Da907

26 March 2010

• 01:0901:09, 26 March 2010 diff hist +49 Rep:Mod:DAAO phys →References
• 01:0901:09, 26 March 2010 diff hist −4 Rep:Mod:DAAO phys →The Cope Rearrangement Tutorial
• 01:0601:06, 26 March 2010 diff hist −1 Rep:Mod:DAAO phys →Conclusion
• 01:0101:01, 26 March 2010 diff hist −1 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 00:5800:58, 26 March 2010 diff hist +10 Rep:Mod:DAAO phys →<u>Approach 3: Redo IRC Computing Force Constants at Every Step</u>
• 00:5600:56, 26 March 2010 diff hist +1 Rep:Mod:DAAO phys →<u>Approach 3: Redo IRC Computing Force Constants at Every Step</u>
• 00:5500:55, 26 March 2010 diff hist +11 Rep:Mod:DAAO phys →<u>Approach 2: Restart IRC & Increase Number of Iterations</u>
• 00:5300:53, 26 March 2010 diff hist +158 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Chair' Transition State
• 00:4700:47, 26 March 2010 diff hist +11 Rep:Mod:DAAO phys →Optimising the 'Chair' and 'Boat' Transition Structures
• 00:4200:42, 26 March 2010 diff hist +16 Rep:Mod:DAAO phys →Vibrational Analysis
• 00:4000:40, 26 March 2010 diff hist −1 Rep:Mod:DAAO phys →Optimising the Reactants and Products
• 00:3000:30, 26 March 2010 diff hist 0 Rep:Mod:DAAO phys →Conclusion
• 00:3000:30, 26 March 2010 diff hist −57 Rep:Mod:DAAO phys →References
• 00:2900:29, 26 March 2010 diff hist +245 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 00:2600:26, 26 March 2010 diff hist +2,132 Rep:Mod:DAAO phys →Conclusions
• 00:0000:00, 26 March 2010 diff hist −19 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures

25 March 2010

• 23:5823:58, 25 March 2010 diff hist +706 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 23:3823:38, 25 March 2010 diff hist +33 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 23:3723:37, 25 March 2010 diff hist +312 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 23:3423:34, 25 March 2010 diff hist +1,168 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 22:4622:46, 25 March 2010 diff hist +215 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 22:3922:39, 25 March 2010 diff hist +11 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 22:3822:38, 25 March 2010 diff hist −188 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 22:3722:37, 25 March 2010 diff hist 0 Rep:Mod:DAAO phys →The Cope Rearrangement Tutorial
• 22:3622:36, 25 March 2010 diff hist +1 Rep:Mod:DAAO phys →References
• 22:3522:35, 25 March 2010 diff hist +108 Rep:Mod:DAAO phys →Activation Energies for the Transition Structures
• 22:2922:29, 25 March 2010 diff hist +583 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Boat' Transition State
• 22:2122:21, 25 March 2010 diff hist +617 Rep:Mod:DAAO phys →<u>Approach 2: Restart IRC & Increase Number of Iterations</u>
• 22:1522:15, 25 March 2010 diff hist +104 Rep:Mod:DAAO phys →<u>Approach 1: Run a Normal Minimisation on Structure Obtained After 50 Iterations</u>
• 22:1322:13, 25 March 2010 diff hist −26 Rep:Mod:DAAO phys →<u>Approach 1: Run a Normal Minimisation on Structure Obtained After 50 Iterations</u>
• 22:1222:12, 25 March 2010 diff hist −7 Rep:Mod:DAAO phys →<u>Approach 1: Run a Normal Minimisation on Structure Obtained After 50 Iterations</u>
• 22:0522:05, 25 March 2010 diff hist +279 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Boat' Transition State
• 22:0022:00, 25 March 2010 diff hist +46 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Boat' Transition State
• 21:5721:57, 25 March 2010 diff hist +2 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Chair' Transition State
• 21:5421:54, 25 March 2010 diff hist +6 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Boat' Transition State
• 21:5321:53, 25 March 2010 diff hist +443 Rep:Mod:DAAO phys →<u>Approach 3: Redo IRC Computing Force Constants at Every Step</u>
• 21:4921:49, 25 March 2010 diff hist +717 Rep:Mod:DAAO phys →<u>Approach 2: Restart IRC & Increase Number of Iterations</u>
• 21:3821:38, 25 March 2010 diff hist −9 Rep:Mod:DAAO phys →<u>Approach 1: Run a Normal Minimisation on Struture Obtained After 50 Iterations</u>
• 21:3721:37, 25 March 2010 diff hist +39 Rep:Mod:DAAO phys →<u>Approach 1: Run a Normal Minimisation</u>
• 21:3521:35, 25 March 2010 diff hist +383 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for 'Chair' Transition State
• 21:2721:27, 25 March 2010 diff hist +441 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method
• 21:1621:16, 25 March 2010 diff hist +5 Rep:Mod:DAAO phys →Optimising the 'Boat' Transition Structure
• 21:1421:14, 25 March 2010 diff hist +52 Rep:Mod:DAAO phys →Optimising the 'Boat' Transition Structure
• 21:1221:12, 25 March 2010 diff hist +175 Rep:Mod:DAAO phys →Optimising the 'Chair' Transition Structure
• 21:0721:07, 25 March 2010 diff hist +280 Rep:Mod:DAAO phys →Optimising the 'Chair' Transition Structure
• 20:5820:58, 25 March 2010 diff hist +113 Rep:Mod:DAAO phys →Optimising the 'Chair' Transition Structure
• 20:4820:48, 25 March 2010 diff hist +453 Rep:Mod:DAAO phys →Optimising the Reactants and Products
• 20:3920:39, 25 March 2010 diff hist +434 Rep:Mod:DAAO phys →Optimising the Reactants and Products
• 20:3120:31, 25 March 2010 diff hist +329 Rep:Mod:DAAO phys →Optimising the Reactants and Products
• 20:2420:24, 25 March 2010 diff hist −1 Rep:Mod:DAAO phys →Optimising the Reactants and Products