User contributions for Aab1817
Appearance
10 May 2019
- 15:1715:17, 10 May 2019 diff hist 0 N File:01346889 TS ex2 1stR dist.png No edit summary current
- 15:1715:17, 10 May 2019 diff hist 0 N File:01346889 TS ex2 1st cont.png No edit summary current
- 15:1515:15, 10 May 2019 diff hist 0 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions
- 15:1415:14, 10 May 2019 diff hist 0 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions
- 15:1415:14, 10 May 2019 diff hist 0 File:10346889 energetics.png Aab1817 uploaded a new version of File:10346889 energetics.png
- 15:1415:14, 10 May 2019 diff hist 0 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions
- 15:1315:13, 10 May 2019 diff hist +260 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions
- 15:1215:12, 10 May 2019 diff hist 0 N File:10346889 energetics.png No edit summary
- 15:0615:06, 10 May 2019 diff hist −51 CP3MD:01346889 →Dynamics from the transition state region
- 15:0615:06, 10 May 2019 diff hist +98 CP3MD:01346889 →Transition State Theory Tag: Visual edit
- 15:0515:05, 10 May 2019 diff hist +491 CP3MD:01346889 →Reactive and unreactive trajectories
- 14:5814:58, 10 May 2019 diff hist +1,192 CP3MD:01346889 →Reactive and unreactive trajectories
- 14:5714:57, 10 May 2019 diff hist 0 N File:01346889 table5.png No edit summary current
- 14:5714:57, 10 May 2019 diff hist 0 N File:01346889 table4.png No edit summary current
- 14:5714:57, 10 May 2019 diff hist 0 N File:01346889 table3.png No edit summary current
- 14:5714:57, 10 May 2019 diff hist 0 N File:01346889 table2.png No edit summary current
- 14:5714:57, 10 May 2019 diff hist 0 N File:01346889 table1.png No edit summary current
- 14:4314:43, 10 May 2019 diff hist +10 CP3MD:01346889 No edit summary Tag: Visual edit
- 14:4114:41, 10 May 2019 diff hist +311 CP3MD:01346889 →Differences between the mep and dynamics trajectories
- 14:4014:40, 10 May 2019 diff hist 0 N File:01346889 mep.png No edit summary current
- 14:4014:40, 10 May 2019 diff hist 0 N File:01346889 dyn.png No edit summary current
- 14:2814:28, 10 May 2019 diff hist +196 CP3MD:01346889 →Differences between the mep and dynamics trajectories
- 14:2714:27, 10 May 2019 diff hist −4 CP3MD:01346889 →ÅÅMolecular Dynamics report Tag: Visual edit
- 14:2714:27, 10 May 2019 diff hist +10 CP3MD:01346889 →Estimation of the transition state position Tag: Visual edit
- 14:2614:26, 10 May 2019 diff hist +950 CP3MD:01346889 →Estimation of the transition state position
- 14:2414:24, 10 May 2019 diff hist 0 N File:01346889 TS1d.png No edit summary current
- 14:2414:24, 10 May 2019 diff hist +99 N File:01346889 TS1c.png TS determination using the contour plot of the reaction. Here plotted using the position of the TS. current
- 14:1414:14, 10 May 2019 diff hist +312 CP3MD:01346889 →Distinguishing it from a local minimum
- 14:0914:09, 10 May 2019 diff hist +16 CP3MD:01346889 →Mathematical definition of the transition state
- 14:0814:08, 10 May 2019 diff hist +4 CP3MD:01346889 →Mathematical definition of the transition state
- 14:0814:08, 10 May 2019 diff hist +442 CP3MD:01346889 No edit summary
- 14:0114:01, 10 May 2019 diff hist +527 CP3MD:01346889 →Activation energies of the reactions
- 13:4813:48, 10 May 2019 diff hist +134 CP3MD:01346889 →Location of the transition state positions
- 13:4613:46, 10 May 2019 diff hist +792 CP3MD:01346889 →Location of the transition state positions
- 13:4113:41, 10 May 2019 diff hist +196 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions
- 13:3613:36, 10 May 2019 diff hist +7 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions Tag: Visual edit
- 13:3513:35, 10 May 2019 diff hist +211 CP3MD:01346889 →Classification of the F + H2 and HF + H reactions
- 11:2811:28, 10 May 2019 diff hist +602 CP3MD:01346889 →Molecular Dynamics report
- 10:5510:55, 10 May 2019 diff hist +539 CP3MD:01346889 →Exercise 1: H + H2 system
7 May 2019
- 15:4515:45, 7 May 2019 diff hist +32 CP3MD:01346889 →Dynamics from the transition state region
- 15:4415:44, 7 May 2019 diff hist +347 CP3MD:01346889 →Exercise 1: H + H2 system
- 15:3715:37, 7 May 2019 diff hist +47 CP3MD:01346889 No edit summary
- 15:3615:36, 7 May 2019 diff hist +52 CP3MD:01346889 No edit summary Tag: Visual edit
- 15:2215:22, 7 May 2019 diff hist +25 N CP3MD:01346889 Created page with "Molecular Dynamics report"
23 March 2018
- 17:0517:05, 23 March 2018 diff hist +202 Rep:Mod:AB01346889 No edit summary
- 16:5516:55, 23 March 2018 diff hist +191 Rep:Mod:AB01346889 →1st Year Modelling 2 Report
- 16:5216:52, 23 March 2018 diff hist −1 Rep:Mod:AB01346889 No edit summary
- 16:5116:51, 23 March 2018 diff hist +5 Rep:Mod:AB01346889 No edit summary
- 12:0312:03, 23 March 2018 diff hist +338 Rep:Mod:AB01346889 No edit summary
- 11:5711:57, 23 March 2018 diff hist +5 Rep:Mod:AB01346889 No edit summary