User contributions for Ch3114
Appearance
8 March 2017
- 15:4015:40, 8 March 2017 diff hist +12 Rep:Mod:tsch3114 →MOs Tag: Visual edit
- 15:3815:38, 8 March 2017 diff hist +753 Rep:Mod:tsch3114 →C-C Bond Lengths
- 15:3015:30, 8 March 2017 diff hist +10 Rep:Mod:tsch3114 →C-C Bond Lengths Tag: Visual edit
- 15:0815:08, 8 March 2017 diff hist +70 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene Tag: Visual edit
- 11:5911:59, 8 March 2017 diff hist +369 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene
7 March 2017
- 20:3920:39, 7 March 2017 diff hist +29 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene
- 20:2820:28, 7 March 2017 diff hist +186 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene Tag: Visual edit
- 20:2720:27, 7 March 2017 diff hist +208 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene
- 20:2120:21, 7 March 2017 diff hist +14 N File:LUMO-butadiene.gif Lumo Butadiene current
- 20:2120:21, 7 March 2017 diff hist +14 N File:HOMO-butadiene.gif butadiene homo current
- 20:2020:20, 7 March 2017 diff hist +6 N File:HOMO AS.jpg Homo u current
- 20:2020:20, 7 March 2017 diff hist +6 N File:HOMO S.jpg Homo g current
- 20:1920:19, 7 March 2017 diff hist +6 N File:LUMO S.jpg Lumo g current
- 20:1820:18, 7 March 2017 diff hist +6 N File:LUMO+1AS.jpg LUMO u current
- 20:1820:18, 7 March 2017 diff hist +11 N File:HOMO-ethene.jpg ethene HOMO current
- 20:1820:18, 7 March 2017 diff hist +11 N File:LUMO-ethene.jpg ethene Lumo current
- 20:1520:15, 7 March 2017 diff hist 0 File:MO diagram.jpg Ch3114 uploaded a new version of File:MO diagram.jpg
- 20:1320:13, 7 March 2017 diff hist 0 File:RMS.jpg Ch3114 uploaded a new version of File:RMS.jpg current
- 20:1220:12, 7 March 2017 diff hist +15 N File:RMS.jpg RMS Graph Image
- 20:1220:12, 7 March 2017 diff hist 0 File:IRC.jpg Ch3114 uploaded a new version of File:IRC.jpg current
- 20:1120:11, 7 March 2017 diff hist −15 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene
- 20:1020:10, 7 March 2017 diff hist −3 Rep:Mod:tsch3114 →Introduction
- 20:0920:09, 7 March 2017 diff hist +510 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene Tag: Visual edit
- 19:5919:59, 7 March 2017 diff hist +137 Rep:Mod:tsch3114 →Introduction Tag: Visual edit
- 19:4519:45, 7 March 2017 diff hist +706 Rep:Mod:tsch3114 No edit summary Tag: Visual edit
- 18:1218:12, 7 March 2017 diff hist +639 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene Tag: Visual edit
- 18:0318:03, 7 March 2017 diff hist +29 Rep:Mod:tsch3114 No edit summary Tag: Visual edit
- 18:0118:01, 7 March 2017 diff hist +1,385 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene Tag: Visual edit
- 17:2417:24, 7 March 2017 diff hist +35 N File:BUTADIENE PM6 MINIMUM OPTFREQ.LOG Butadiene PM6 Minimisation log file current
- 17:2317:23, 7 March 2017 diff hist +32 N File:ETHENE MINIMUM PM6.LOG Ethene PM6 minimisation log file current
- 17:1617:16, 7 March 2017 diff hist +88 Rep:Mod:tsch3114 →Exercise 1: Reaction of Butadiene with Ethylene Tag: Visual edit
- 17:0217:02, 7 March 2017 diff hist +458 N Rep:Mod:tsch3114 Created page with "== Exercise 1: Reaction of Butadiene with Ethylene == This reaction is the simplest possible example of a [4+2] cycloaddition, or Diels-Alder reaction, between a diene and a d..." Tag: Visual edit
18 November 2016
- 11:1611:16, 18 November 2016 diff hist +811 Rep:Ch3114 →7. Dynamical properties and the diffusion coefficient
- 11:0711:07, 18 November 2016 diff hist +771 Rep:Ch3114 →7. Dynamical properties and the diffusion coefficient
- 10:4210:42, 18 November 2016 diff hist +2 Rep:Ch3114 →2. Intro to MD Simulations
- 10:4210:42, 18 November 2016 diff hist +344 Rep:Ch3114 →Task 1:
- 10:4210:42, 18 November 2016 diff hist 0 N File:Position vs time.png No edit summary current
- 10:4110:41, 18 November 2016 diff hist 0 N File:Energy vs time.png No edit summary
- 09:4009:40, 18 November 2016 diff hist +127 Rep:Ch3114 →5. Calculating the heat capacities using statistical physics
- 09:3809:38, 18 November 2016 diff hist +108 Rep:Ch3114 →Task 3:
- 09:3709:37, 18 November 2016 diff hist +378 Rep:Ch3114 →Task 7:
- 09:3509:35, 18 November 2016 diff hist +258 Rep:Ch3114 →2. Intro to MD Simulations
- 09:2409:24, 18 November 2016 diff hist +90 Rep:Ch3114 →Task 1:
- 09:1809:18, 18 November 2016 diff hist +105 Rep:Ch3114 No edit summary
17 November 2016
- 23:3723:37, 17 November 2016 diff hist +1,732 Rep:Ch3114 →5. Calculating the heat capacities using statistical physics
- 23:3423:34, 17 November 2016 diff hist +727 Rep:Ch3114 →5. Calculating the heat capacities using statistical physics
- 23:2123:21, 17 November 2016 diff hist +201 Rep:Ch3114 →Task 7:
- 23:1823:18, 17 November 2016 diff hist +398 Rep:Ch3114 →Task 3:
- 23:1423:14, 17 November 2016 diff hist +119 Rep:Ch3114 →7. Dynamical properties and the diffusion coefficient
- 23:1423:14, 17 November 2016 diff hist 0 N File:VACF vs timestep.png No edit summary current