User contributions for Rcb07
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16 March 2010
- 14:4114:41, 16 March 2010 diff hist +89 Rep:Mod:0509rcba →Calculating Activation Energies
- 14:3414:34, 16 March 2010 diff hist +652 Rep:Mod:0509rcba →Calculating Activation Energies
- 14:2214:22, 16 March 2010 diff hist +261 Rep:Mod:0509rcba →Calculating Activation Energies
- 14:2014:20, 16 March 2010 diff hist +1 Rep:Mod:0509rcba →Calculating Activation Energies
- 14:1914:19, 16 March 2010 diff hist +852 Rep:Mod:0509rcba →Calculating Activation Energies
- 14:1314:13, 16 March 2010 diff hist +41 Rep:Mod:0509rcba →Calculating Activation Energies for Reaction via Chair and Boat Transition States
- 14:1214:12, 16 March 2010 diff hist 0 N File:Boat reopt vib rcb07.jpg No edit summary current
- 14:1214:12, 16 March 2010 diff hist 0 N File:Chair reopt vib rcb07.jpg No edit summary current
- 13:5813:58, 16 March 2010 diff hist +760 Rep:Mod:0509rcba →Comparing Two Different Methods of Optimisation
- 13:4913:49, 16 March 2010 diff hist +1,342 Rep:Mod:0509rcba →Comparing Two Different Methods of Optimisation
- 13:4413:44, 16 March 2010 diff hist +224 Rep:Mod:0509rcba →Chair Transition State
- 13:4013:40, 16 March 2010 diff hist +1,638 Rep:Mod:0509rcba →Calculating Activation Energies for Reaction via Chair and Boat Transition States
- 13:2913:29, 16 March 2010 diff hist 0 N File:Chair reopt results rcb07.jpg No edit summary current
- 13:2913:29, 16 March 2010 diff hist 0 N File:Chair reopt rcb07.mol No edit summary current
- 13:2913:29, 16 March 2010 diff hist 0 N File:Chair reopt rcb07.jpg No edit summary current
- 13:2813:28, 16 March 2010 diff hist +283 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 13:2513:25, 16 March 2010 diff hist 0 N File:Boat reopt results rcb07.jpg No edit summary current
- 13:2513:25, 16 March 2010 diff hist +8 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 13:2413:24, 16 March 2010 diff hist 0 N File:Boat reopt rcb07.mol No edit summary current
- 13:2413:24, 16 March 2010 diff hist 0 N File:Boat reopt rcb07.jpg No edit summary current
- 13:2413:24, 16 March 2010 diff hist +421 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 13:1713:17, 16 March 2010 diff hist +26 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 13:1613:16, 16 March 2010 diff hist +1 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 13:1513:15, 16 March 2010 diff hist +749 Rep:Mod:0509rcba →Re-optimising Chair and Boat Transition State Structures
- 13:0713:07, 16 March 2010 diff hist +328 Rep:Mod:0509rcba →Calculating Activation Energies for Reaction via Chair and Boat Transition States
- 11:4111:41, 16 March 2010 diff hist +674 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 11:3611:36, 16 March 2010 diff hist 0 N File:Boat IRC app3 results rcb07.jpg No edit summary current
- 11:3511:35, 16 March 2010 diff hist 0 N File:Boat IRC app3 rcb07.mol No edit summary current
- 11:3511:35, 16 March 2010 diff hist 0 N File:Boat IRC app3 rcb07.jpg No edit summary current
- 11:3211:32, 16 March 2010 diff hist +805 Rep:Mod:0509rcba →Using Approach 3: Calculating Force Constants for Every Step
- 11:3111:31, 16 March 2010 diff hist −1 Rep:Mod:0509rcba →Approach 3: Calculating Force Constants for Every Step
- 11:3011:30, 16 March 2010 diff hist 0 N File:Boat IRC app1 rcb07.mol No edit summary current
- 11:2911:29, 16 March 2010 diff hist 0 N File:Boat IRC app1 rcb07.jpg No edit summary current
- 11:2811:28, 16 March 2010 diff hist 0 N File:Boat IRC results app1 rcb07.jpg No edit summary current
- 11:2711:27, 16 March 2010 diff hist +1,033 Rep:Mod:0509rcba →Using Approach 1: Minimising Last Structure of IRC
- 11:2011:20, 16 March 2010 diff hist 0 N File:Boat IRC1 results rcb07.jpg No edit summary current
- 11:1911:19, 16 March 2010 diff hist 0 N File:Boat IRC1 rcb07.mol No edit summary current
- 11:1911:19, 16 March 2010 diff hist 0 N File:Boat IRC1 rcb07.jpg No edit summary current
- 11:1611:16, 16 March 2010 diff hist +13 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 11:1511:15, 16 March 2010 diff hist +183 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 11:1411:14, 16 March 2010 diff hist +356 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 11:1111:11, 16 March 2010 diff hist +399 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 11:1011:10, 16 March 2010 diff hist +63 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Boat Transition State
- 10:5910:59, 16 March 2010 diff hist 0 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair Transition State
- 10:5710:57, 16 March 2010 diff hist +3 Rep:Mod:0509rcba →Frequency Analysis of Anti 2 Conformer
- 10:5510:55, 16 March 2010 diff hist +1 Rep:Mod:0509rcba →The Cope Rearrangement of 1,5-Hexadiene
- 10:5410:54, 16 March 2010 diff hist 0 Rep:Mod:0509rcba →Re-optimising Anti 2 Comformer of 1,5-Hexadiene
15 March 2010
- 19:2419:24, 15 March 2010 diff hist −1 Rep:Mod:0509rcba →Optimising Boat Transition State Using the Hartree-Fock and QST2 Methods
- 19:2319:23, 15 March 2010 diff hist −1 Rep:Mod:0509rcba →Optimising Chair Transition State Using the Hartree-Fock and TS Berny Method
- 19:2219:22, 15 March 2010 diff hist −3 Rep:Mod:0509rcba →Optimising Chair Transition State Using the Hartree-Fock and TS Berny Method