User contributions for Jbettenc

7 May 2019

• 19:4019:40, 7 May 2019 diff hist +36 m CP3MD →Kinetics/reaction dynamics references: Fix links to library items

2 May 2019

• 12:3112:31, 2 May 2019 diff hist +454 CP3MD Add instructions for when the program does not start by double clicking.

1 May 2019

• 19:0519:05, 1 May 2019 diff hist +13 CP3MD Correct some miss-leading statements about the velocity. In this system the relationship between momentum and velocity is not a simple multiplications by (reduced) mass.

18 April 2019

• 18:1618:16, 18 April 2019 diff hist −117 CP3MD Highlight some effects of changing the step size.

12 April 2019

• 11:5311:53, 12 April 2019 diff hist 0 m CP3MD →Kinetics/reaction dynamics references
• 11:5211:52, 12 April 2019 diff hist +16 m CP3MD →Kinetics/reaction dynamics references
• 11:5111:51, 12 April 2019 diff hist +692 CP3MD →Kinetics/reaction dynamics references: Add reference of Hirst's book
• 09:4909:49, 12 April 2019 diff hist +70 m CP3MD Wording improvements

26 March 2019

• 18:1518:15, 26 March 2019 diff hist +66 CP3MD →EXERCISE 1: H + H2 system: Improve wording of questions based on suggestions from Shukai
• 17:4017:40, 26 March 2019 diff hist +6 m CP3MD →Reaction dynamics
• 17:3817:38, 26 March 2019 diff hist +47 CP3MD →EXERCISE 2: F - H - H system: Improve wording of the questions
• 17:1517:15, 26 March 2019 diff hist −433 CP3MD →Background reading: Update references to Atkins' latest edition and removed advanced reference

21 February 2019

• 09:3209:32, 21 February 2019 diff hist +30 Rep:Mod:rr12104 Fix Jmol to show optimised amonia structure instead of initial geometry.

5 February 2019

• 11:4911:49, 5 February 2019 diff hist −2 m Third Year TS and Reactivity Lab Separate PM6 speed issues from Assessment Information

14 January 2019

• 18:1918:19, 14 January 2019 diff hist −20 m Third Year TS and Reactivity Lab Correct name of prior lab and some link tweaks.

2 October 2018

• 14:3914:39, 2 October 2018 diff hist +97 m Third year simulation experiment →Assessment: Add warning about page being out of date.

28 September 2018

• 12:4512:45, 28 September 2018 diff hist +14 m ThirdYearMgOExpt-1415 →Instructions: Link directly to the zip file
• 11:4911:49, 28 September 2018 diff hist −33 m Main Page →Third Year: Change link names

28 June 2018

• 09:2809:28, 28 June 2018 diff hist +84 m CP3MD MTP16 Highlight plagiarism current

2 June 2018

• 11:4011:40, 2 June 2018 diff hist +211 m MRD:zz3116 →5: Warning about plagiarism.
• 11:3511:35, 2 June 2018 diff hist +189 m MRD:MolecularReactionDynamicsas11815 →Dynamics from the transition state region: Not sure the expression was understood. current
• 11:0611:06, 2 June 2018 diff hist +211 m MRD:WLi01255539 →Question 5:: Plagiarism warning

15 May 2018

• 18:3118:31, 15 May 2018 diff hist +209 m Eleonora Physical comp labs Comment on the need of citation when quoting.

2 May 2018

• 16:5216:52, 2 May 2018 diff hist +103 m CP3MD →Running and visualising a trajectory: Change wording of Surface Plot discription
• 15:1015:10, 2 May 2018 diff hist +226 m CP3MD →The write-up Required: Add warning about wiki logouts

1 May 2018

• 12:5012:50, 1 May 2018 diff hist 0 m CP3MD Correct typo
• 12:4112:41, 1 May 2018 diff hist +2,227 CP3MD Adding more bibliography.

30 April 2018

• 14:2814:28, 30 April 2018 diff hist −2 m CP3MD Suppress some spacing
• 14:1114:11, 30 April 2018 diff hist +6 m CP3MD Minor corrections.
• 14:0614:06, 30 April 2018 diff hist +977 CP3MD Add section on Skew Plot.
• 09:4609:46, 30 April 2018 diff hist +415 CP3MD Correcting interface indications for the python software version. Providing some hints for reactive H+HF trajectories.

24 April 2018

• 11:1811:18, 24 April 2018 diff hist −371 CP3MD Point to Python software version. Improved the wording of some questions.

12 June 2017

• 08:2008:20, 12 June 2017 diff hist +154 m MRD:00948108ab6114 Highlight the report has been plagiarised. current

24 May 2017

• 15:3815:38, 24 May 2017 diff hist +144 m MRD:YLS15 Highlight the report was plagiarised. current

17 May 2017

• 18:5018:50, 17 May 2017 diff hist +41 m Chemtracker Project Adding a logo current
• 18:3918:39, 17 May 2017 diff hist +22 N File:ChemTrack logo.png ChemTrack project logo current

16 May 2017

• 15:4415:44, 16 May 2017 diff hist +155 m MRD:everything01095534 Highlight report as plagiarised. current

8 May 2017

• 16:3116:31, 8 May 2017 diff hist +84 m CP3MD Rephrase a sentence about the transition state crossing which could be misleading.

3 May 2017

• 11:0511:05, 3 May 2017 diff hist +1,680 Chemtracker Project →Purpose of the experiment: First take on different types of experiment.

2 May 2017

• 10:5610:56, 2 May 2017 diff hist +834 Chemtracker Project →Purpose of the experiment: Start giving substance to experiment types.

27 April 2017

• 17:0417:04, 27 April 2017 diff hist +17 m CP3MD Correct minor glitches

26 April 2017

• 10:0310:03, 26 April 2017 diff hist −98 m CP3MD →Molecular Reaction Dynamics: Applications to Triatomic systems: Authorship is explicit via wiki edits.

5 April 2017

• 18:0518:05, 5 April 2017 diff hist +266 CP3MD →Atom-Diatom Collisions: Add comment about trajectory of rolling sphere.
• 17:5217:52, 5 April 2017 diff hist +3 m CP3MD →Background reading
• 17:4417:44, 5 April 2017 diff hist +506 CP3MD Add instructions on report writing
• 16:5616:56, 5 April 2017 diff hist −3,982 CP3MD Complete rewrite of the exercise
• 09:2209:22, 5 April 2017 diff hist +930 CP3MD →Background reading: Add a few more references

4 April 2017

• 18:0618:06, 4 April 2017 diff hist −890 CP3MD Continue reworking the exercise

31 March 2017

• 20:0720:07, 31 March 2017 diff hist +160 m CP3MD Detail book section names
• 20:0220:02, 31 March 2017 diff hist +121 m CP3MD Add reference to another book