User contributions for Rcb07
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23 November 2010
- 16:3716:37, 23 November 2010 diff hist +695 Mod:Hunt Research Group/calendar →Calendar
- 16:2716:27, 23 November 2010 diff hist +54 Mod:Hunt Research Group/calendar →Calendar
23 March 2010
- 14:1914:19, 23 March 2010 diff hist +16 Rep:Mod:0509rcba →The Diels Alder Cycloaddition
- 14:1914:19, 23 March 2010 diff hist +511 Rep:Mod:0509rcba →Calculating Activation Energies
- 14:1514:15, 23 March 2010 diff hist +516 Rep:Mod:0509rcba →Calculating Activation Energies
22 March 2010
- 20:3420:34, 22 March 2010 diff hist +6 Rep:Mod:0509rcba →The Diels Alder Cycloaddition
- 20:3020:30, 22 March 2010 diff hist +45 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 20:2920:29, 22 March 2010 diff hist 0 N File:Log 26584.out No edit summary current
- 20:2520:25, 22 March 2010 diff hist 0 Rep:Mod:0509rcba →Boat Transition State
- 20:2320:23, 22 March 2010 diff hist +10 Rep:Mod:0509rcba →Boat Transition State
- 20:2120:21, 22 March 2010 diff hist +11 Rep:Mod:0509rcba →Calculating Activation Energies
- 20:1320:13, 22 March 2010 diff hist +13 Rep:Mod:0509rcba →Calculating Activation Energies
- 20:1220:12, 22 March 2010 diff hist −1,358 Rep:Mod:0509rcba →Chair Transition State
- 20:0020:00, 22 March 2010 diff hist +1,363 Rep:Mod:0509rcba →Chair Transition State
- 19:5619:56, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 19:5519:55, 22 March 2010 diff hist 0 N File:Log 26581.out No edit summary current
- 19:5219:52, 22 March 2010 diff hist +1 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 19:5119:51, 22 March 2010 diff hist −43 Rep:Mod:0509rcba →Calculating Activation Energies
- 19:4419:44, 22 March 2010 diff hist +26 Rep:Mod:0509rcba →Creating and Optimising 1,5-hexadiene
- 19:4319:43, 22 March 2010 diff hist +8 Rep:Mod:0509rcba →Re-optimising Anti 2 Conformer of 1,5-Hexadiene
- 19:4319:43, 22 March 2010 diff hist +4 Rep:Mod:0509rcba →Optimising Allyl Fragment
- 19:4119:41, 22 March 2010 diff hist −2 Rep:Mod:0509rcba →Optimising the Reactants
- 19:3919:39, 22 March 2010 diff hist +10 Rep:Mod:0509rcba →Optimising the Reactants
- 19:3919:39, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Analysing the Molecular Orbitals of the Transition State
- 19:3819:38, 22 March 2010 diff hist 0 N File:Log 26352.out No edit summary current
- 19:3719:37, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Optimising the Transition State
- 19:3719:37, 22 March 2010 diff hist 0 N File:Log 26348.out No edit summary current
- 19:3519:35, 22 March 2010 diff hist +2 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 19:2519:25, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Using Approach 3: Calculating Force Constants for Every Step
- 19:2519:25, 22 March 2010 diff hist 0 N File:Log 26285.out No edit summary current
- 19:2419:24, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Using Approach 1: Minimising Last Structure of IRC
- 19:2419:24, 22 March 2010 diff hist 0 N File:Log 26284.out No edit summary current
- 19:2319:23, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 19:2319:23, 22 March 2010 diff hist 0 N File:Log 26282.out No edit summary current
- 19:2119:21, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Approach 3: Calculating Force Constants for Every Step
- 19:2119:21, 22 March 2010 diff hist 0 N File:Log 26242.out No edit summary current
- 19:2019:20, 22 March 2010 diff hist +38 Rep:Mod:0509rcba →Approach 2: Increasing Number of Iterations
- 19:2019:20, 22 March 2010 diff hist 0 N File:Log 26241.out No edit summary current
- 19:1919:19, 22 March 2010 diff hist +38 Rep:Mod:0509rcba →Approach 1: Minimising Last Structure of IRC
- 19:1819:18, 22 March 2010 diff hist 0 N File:Log 26238.out No edit summary current
- 19:1719:17, 22 March 2010 diff hist +38 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair Transition State
- 19:1719:17, 22 March 2010 diff hist 0 N File:Log 26234.out No edit summary current
- 19:1419:14, 22 March 2010 diff hist +38 Rep:Mod:0509rcba →Optimising Boat Transition State Using the Hartree-Fock and QST2 Methods
- 19:1419:14, 22 March 2010 diff hist 0 N File:Log 26214.out No edit summary current
- 19:1319:13, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Optimising Boat Transition State Using the Hartree-Fock and QST2 Methods
- 19:1219:12, 22 March 2010 diff hist 0 N File:Log 26202.out No edit summary current
- 19:1119:11, 22 March 2010 diff hist +37 Rep:Mod:0509rcba →Optimising Chair Transition State Using the Hartree-Fock and Frozen Coordinate Methods
- 19:1019:10, 22 March 2010 diff hist 0 N File:Log 26181.out No edit summary current
- 19:0919:09, 22 March 2010 diff hist +38 Rep:Mod:0509rcba →Optimising Chair Transition State Using the Hartree-Fock and Frozen Coordinate Methods
- 19:0919:09, 22 March 2010 diff hist 0 N File:Log 26173.out No edit summary current