User contributions for Smf115

29 September 2020

• 18:0118:01, 29 September 2020 diff hist +3,275 Third Year TS and Reactivity Lab: Tutorial No edit summary
• 17:1817:18, 29 September 2020 diff hist +77 Third Year TS and Reactivity Lab: Tutorial →2. Optimisation and Frequency Calculation
• 16:4816:48, 29 September 2020 diff hist +4,224 Third Year TS and Reactivity Lab: Tutorial →Tutorial Exercise 1: Cope Rearrangment
• 16:1216:12, 29 September 2020 diff hist +7 Third Year TS and Reactivity Lab: Tutorial No edit summary
• 16:1116:11, 29 September 2020 diff hist −65 Third Year TS and Reactivity Lab: Exercises →Exercise 2: Reaction of Cyclohexadiene and 1,3-Dioxole
• 16:0316:03, 29 September 2020 diff hist +33 Third Year TS and Reactivity Lab: Exercises No edit summary
• 16:0116:01, 29 September 2020 diff hist +295 Third Year TS and Reactivity Lab: Exercises No edit summary
• 15:5615:56, 29 September 2020 diff hist +55 Third Year TS and Reactivity Lab: Tutorial No edit summary
• 15:4115:41, 29 September 2020 diff hist −79 Third Year TS and Reactivity Lab: Tutorial No edit summary
• 15:2215:22, 29 September 2020 diff hist +56 Third Year TS and Reactivity Lab: Tutorial →Calculating a Minimum
• 14:5314:53, 29 September 2020 diff hist +3,711 Third Year TS and Reactivity Lab: Tutorial →Introduction

28 September 2020

• 21:5621:56, 28 September 2020 diff hist −383 Third Year TS and Reactivity Lab No edit summary
• 21:5421:54, 28 September 2020 diff hist −5,953 Third Year TS and Reactivity Lab No edit summary
• 21:3221:32, 28 September 2020 diff hist −1,580 Third Year TS and Reactivity Lab →Introduction
• 20:3320:33, 28 September 2020 diff hist −268 Third Year TS and Reactivity Lab No edit summary
• 20:3220:32, 28 September 2020 diff hist +23,998 N Third Year TS and Reactivity Lab: Tutorial Created page with "== Introduction == Within this lab, you will be modeling several chemical reactions and analysing them by calculating '''Transition State (TS)''' structures. Locating transit..."
• 20:2720:27, 28 September 2020 diff hist +5,355 N Third Year TS and Reactivity Lab: Exercises Created page with "== Exercise 1: Reaction of Butadiene with Ethylene == <br /> 400px <br /> 1) Optimise the reactants and TS at the '''PM6 level'''. 2)..."
• 20:2520:25, 28 September 2020 diff hist +46 N Mod:ts exercise Smf115 moved page Mod:ts exercise to Third Year TS and Reactivity Lab current
• 20:2520:25, 28 September 2020 diff hist 0 m Third Year TS and Reactivity Lab Smf115 moved page Mod:ts exercise to Third Year TS and Reactivity Lab

27 September 2020

• 16:1816:18, 27 September 2020 diff hist +694 Mod:ts tutorial →Transition State Calculation current

15 March 2020

• 23:5923:59, 15 March 2020 diff hist −46 Mod:ts tutorial No edit summary
• 23:5923:59, 15 March 2020 diff hist +143 Mod:ts tutorial No edit summary
• 23:5423:54, 15 March 2020 diff hist −116 Mod:ts tutorial →Practice: Cope Rearrangement
• 23:5323:53, 15 March 2020 diff hist +17 Third Year TS and Reactivity Lab →Demonstrators
• 23:5323:53, 15 March 2020 diff hist +1 Third Year TS and Reactivity Lab →Write Up
• 23:5223:52, 15 March 2020 diff hist +3 Third Year TS and Reactivity Lab →Write Up
• 23:5223:52, 15 March 2020 diff hist +376 Third Year TS and Reactivity Lab →Write Up
• 23:4923:49, 15 March 2020 diff hist +339 Third Year TS and Reactivity Lab →Introduction
• 23:4323:43, 15 March 2020 diff hist −313 Third Year TS and Reactivity Lab →Exercise 2: Reaction of Cyclohexadiene and 1,3-Dioxole
• 23:4123:41, 15 March 2020 diff hist +30 Third Year TS and Reactivity Lab →Demonstrators
• 23:3823:38, 15 March 2020 diff hist +229 Third Year TS and Reactivity Lab →Computational Methods
• 23:3623:36, 15 March 2020 diff hist +229 Mod:ts tutorial →Gaussian Calculations
• 23:3423:34, 15 March 2020 diff hist 0 Mod:ts tutorial →Practice: Cope Rearrangement
• 23:3423:34, 15 March 2020 diff hist −96 Mod:ts tutorial →Approach 1: Straight Guess
• 23:3323:33, 15 March 2020 diff hist +95 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
• 23:3123:31, 15 March 2020 diff hist −56 Mod:ts tutorial →Approach 1: Straight Guess
• 23:3023:30, 15 March 2020 diff hist +50 Mod:ts tutorial →Approach 1: Straight Guess
• 23:2923:29, 15 March 2020 diff hist −186 Mod:ts tutorial →Practice: Cope Rearrangement
• 23:2723:27, 15 March 2020 diff hist −9 Mod:ts tutorial →Transition State (TS Opt) Calculation
• 23:2723:27, 15 March 2020 diff hist −13 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
• 23:2523:25, 15 March 2020 diff hist +5 Mod:ts tutorial →Approach 1: Straight Guess
• 23:2323:23, 15 March 2020 diff hist +351 Mod:ts tutorial No edit summary

5 March 2020

• 15:5415:54, 5 March 2020 diff hist 0 Mod:Hunt Research Group/hpc →Array jobs
• 15:5115:51, 5 March 2020 diff hist +189 Mod:Hunt Research Group/hpc →Standard job script
• 15:4615:46, 5 March 2020 diff hist +129 Mod:Hunt Research Group/hpc →Array jobs

19 February 2020

• 16:1216:12, 19 February 2020 diff hist +152 Mod:Hunt Research Group →Hunt Group Wiki
• 16:0716:07, 19 February 2020 diff hist −18 Mod:Hunt Research Group/hpc →Current pqph resources:
• 16:0716:07, 19 February 2020 diff hist +8 Mod:Hunt Research Group/hpc →Resources
• 16:0616:06, 19 February 2020 diff hist +603 Mod:Hunt Research Group/hpc →pqph Resources
• 16:0316:03, 19 February 2020 diff hist 0 Mod:Hunt Research Group/hpc →Array jobs