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11 November 2008
- 13:2613:26, 11 November 2008 diff hist +208 Rep:Mod:sdfagfihpzsdmk →Comparing Energies and Geometries of the anti2 conformer at different levels of theory
- 13:2613:26, 11 November 2008 diff hist 0 N File:AJW anti2 DFTopt mol.mol No edit summary current
- 13:2513:25, 11 November 2008 diff hist 0 N File:AJW anti2 DFTpicture.JPG No edit summary current
- 13:1013:10, 11 November 2008 diff hist 0 N File:AJW anti2 DFToptsum.JPG No edit summary current
- 13:1013:10, 11 November 2008 diff hist +574 Rep:Mod:sdfagfihpzsdmk →Optimising the 'anti2' conformation
- 12:5212:52, 11 November 2008 diff hist −27 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
10 November 2008
- 18:1718:17, 10 November 2008 diff hist +460 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 18:0818:08, 10 November 2008 diff hist 0 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 18:0718:07, 10 November 2008 diff hist +2 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 18:0718:07, 10 November 2008 diff hist +6 Rep:Mod:sdfagfihpzsdmk →The Cope Rearrangement Tutorial
- 18:0618:06, 10 November 2008 diff hist +356 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 18:0518:05, 10 November 2008 diff hist 0 N File:AJW anti2 picture.JPG No edit summary current
- 18:0118:01, 10 November 2008 diff hist 0 N File:AJW anti2 optsum.JPG No edit summary current
- 17:3917:39, 10 November 2008 diff hist +20 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 17:2817:28, 10 November 2008 diff hist +653 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 17:2617:26, 10 November 2008 diff hist 0 N File:AJW gauche3 opt mol.mol No edit summary current
- 17:2417:24, 10 November 2008 diff hist 0 N File:AJW gauche3 optsum.JPG No edit summary current
- 16:5216:52, 10 November 2008 diff hist +372 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 15:2515:25, 10 November 2008 diff hist 0 N File:AJW gauche symm.JPG No edit summary current
- 15:2515:25, 10 November 2008 diff hist +459 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 15:0015:00, 10 November 2008 diff hist +110 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 14:5814:58, 10 November 2008 diff hist 0 N File:AJW gauche optsum.JPG No edit summary current
- 14:5714:57, 10 November 2008 diff hist −1 Rep:Mod:sdfagfihpzsdmk →The Cope Rearrangement Tutorial
- 14:5414:54, 10 November 2008 diff hist +274 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 14:5114:51, 10 November 2008 diff hist 0 N File:AJW gauche hexadiene.JPG No edit summary current
- 14:4714:47, 10 November 2008 diff hist 0 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 14:3014:30, 10 November 2008 diff hist +899 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 13:0313:03, 10 November 2008 diff hist +266 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
- 13:0113:01, 10 November 2008 diff hist 0 N File:AJW anti Symm.JPG No edit summary current
- 12:5512:55, 10 November 2008 diff hist +806 Rep:Mod:sdfagfihpzsdmk →The Cope Rearrangement Tutorial
- 12:5412:54, 10 November 2008 diff hist 0 N File:AJW anti optsum.JPG No edit summary current
- 12:4412:44, 10 November 2008 diff hist 0 N File:AJW anti hexadiene.JPG No edit summary current
- 12:1212:12, 10 November 2008 diff hist 0 N File:AJW cope transition.JPG No edit summary current
- 12:0412:04, 10 November 2008 diff hist +355 N Rep:Mod:sdfagfihpzsdmk New page: =Third Year Computational Lab: Module 3= ==Experiment 3: The Transition State== ===The Cope Rearrangement Tutorial=== In this section I shall be investigating the transition state in th...
- 12:0212:02, 10 November 2008 diff hist 0 N File:AJW cope.JPG No edit summary current
7 November 2008
- 15:1415:14, 7 November 2008 diff hist −165 Rep:Mod:euhrfwfjhsd →The Energies of the Geometries
- 14:5314:53, 7 November 2008 diff hist +51 Rep:Mod:euhrfwfjhsd →Day 2: The Investigation of a Transition Metal Complex
- 14:3514:35, 7 November 2008 diff hist +215 Rep:Mod:euhrfwfjhsd →Day 2: The Investigation of a Transition Metal Complex
- 14:3514:35, 7 November 2008 diff hist 0 N File:AJW trans optsum.JPG No edit summary current
- 14:3314:33, 7 November 2008 diff hist 0 N File:AJW Cis optsum.JPG No edit summary current
- 14:3114:31, 7 November 2008 diff hist +1,351 Rep:Mod:euhrfwfjhsd →Investigating IR Vibrational Frequencies of a Complex
- 14:0414:04, 7 November 2008 diff hist +81 Rep:Mod:euhrfwfjhsd →Investigating IR Vibrational Frequencies of a Complex
- 14:0314:03, 7 November 2008 diff hist 0 N File:AJW cis IR.JPG No edit summary current
- 13:5713:57, 7 November 2008 diff hist +187 Rep:Mod:euhrfwfjhsd →Day 2: The Investigation of a Transition Metal Complex
- 13:5713:57, 7 November 2008 diff hist 0 N File:AJW trans IR.JPG No edit summary current
- 13:2713:27, 7 November 2008 diff hist +180 Rep:Mod:euhrfwfjhsd →Day 2: The Investigation of a Transition Metal Complex
- 13:2213:22, 7 November 2008 diff hist +326 Rep:Mod:euhrfwfjhsd →Solid State Structure of Ammonia Borane
- 13:1813:18, 7 November 2008 diff hist +33 Rep:Mod:euhrfwfjhsd →Solid State Structure of Ammonia Borane
- 13:1713:17, 7 November 2008 diff hist −929 Rep:Mod:euhrfwfjhsd →The Comparison of the Calculated Geometry with the Literature Geometry
- 13:1313:13, 7 November 2008 diff hist +59 Rep:Mod:euhrfwfjhsd →Day 2: The Investigation of a Transition Metal Complex