User contributions for Mmo116

14:3314:33, 10 May 2018 diff hist +174 MRD:mmo116 No edit summary
14:3114:31, 10 May 2018 diff hist +50 MRD:mmo116 →Changed initial conditions so r1 = rts and r2 = rts+0.01 instead? Tag: Visual edit
14:3014:30, 10 May 2018 diff hist +6 MRD:mmo116 No edit summary
14:3014:30, 10 May 2018 diff hist 0 N File:MOS dynamics momenta switch.PNG No edit summary current
14:2914:29, 10 May 2018 diff hist +15 MRD:mmo116 →Changed initial conditions so r1 = rts and r2 = rts+0.01 instead?
14:2914:29, 10 May 2018 diff hist +142 MRD:mmo116 No edit summary
14:2714:27, 10 May 2018 diff hist 0 MRD:mmo116 No edit summary
14:2614:26, 10 May 2018 diff hist +156 MRD:mmo116 No edit summary
14:2514:25, 10 May 2018 diff hist 0 N File:MOS reaction path dynamics switch.PNG No edit summary current
14:2114:21, 10 May 2018 diff hist +41 MRD:mmo116 No edit summary
14:2114:21, 10 May 2018 diff hist +38 MRD:mmo116 →Comment on how the minimum energy path (mep) and the trajectory differ. Tag: Visual edit
14:1514:15, 10 May 2018 diff hist +98 MRD:mmo116 →Comment on how the minimum energy path (mep) and the trajectory differ. Tag: Visual edit
14:1314:13, 10 May 2018 diff hist +5 MRD:mmo116 No edit summary
14:1314:13, 10 May 2018 diff hist +91 MRD:mmo116 No edit summary
14:1214:12, 10 May 2018 diff hist 0 N File:MOS dynamics momenta.PNG No edit summary current
14:0814:08, 10 May 2018 diff hist +80 MRD:mmo116 →Comment on how the minimum energy path (mep) and the trajectory differ. Tag: Visual edit
14:0614:06, 10 May 2018 diff hist +196 MRD:mmo116 →Comment on how the minimum energy path (mep) and the trajectory differ. Tag: Visual edit
14:0414:04, 10 May 2018 diff hist +124 MRD:mmo116 →Comment on how the minimum energy path (mep) and the trajectory differ. Tag: Visual edit
14:0214:02, 10 May 2018 diff hist −2 MRD:mmo116 No edit summary
14:0214:02, 10 May 2018 diff hist 0 MRD:mmo116 No edit summary
14:0114:01, 10 May 2018 diff hist 0 MRD:mmo116 No edit summary
14:0114:01, 10 May 2018 diff hist +175 MRD:mmo116 →Comment on how the minimum energy path (mep) and the trajectory differ. Tag: Visual edit: Switched
13:5813:58, 10 May 2018 diff hist +285 MRD:mmo116 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit: Switched
13:4213:42, 10 May 2018 diff hist 0 MRD:mmo116 No edit summary
13:4013:40, 10 May 2018 diff hist +80 MRD:mmo116 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory. Tag: Visual edit
13:3513:35, 10 May 2018 diff hist 0 MRD:mmo116 No edit summary
13:3413:34, 10 May 2018 diff hist +5 MRD:mmo116 No edit summary
13:3413:34, 10 May 2018 diff hist +136 MRD:mmo116 No edit summary
13:3313:33, 10 May 2018 diff hist 0 N File:MOS dynamics surface.PNG No edit summary current
13:3013:30, 10 May 2018 diff hist 0 N File:MOS mep surface.PNG No edit summary current
13:2313:23, 10 May 2018 diff hist +1 MRD:mmo116 No edit summary
13:2313:23, 10 May 2018 diff hist +2 MRD:mmo116 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory. Tag: Visual edit
13:1513:15, 10 May 2018 diff hist +221 MRD:mmo116 No edit summary
13:1313:13, 10 May 2018 diff hist 0 N File:MOS reaction path MEP.PNG No edit summary current
13:1113:11, 10 May 2018 diff hist 0 N File:MOS reaction path dynamics.PNG No edit summary current

15:5015:50, 8 May 2018 diff hist +23 MRD:mmo116 No edit summary
15:4915:49, 8 May 2018 diff hist −86 MRD:mmo116 No edit summary Tag: Visual edit: Switched
15:4215:42, 8 May 2018 diff hist +273 MRD:mmo116 No edit summary
15:3815:38, 8 May 2018 diff hist −1 MRD:mmo116 No edit summary
15:3515:35, 8 May 2018 diff hist −1 MRD:mmo116 No edit summary
15:3515:35, 8 May 2018 diff hist +5 MRD:mmo116 No edit summary
15:3415:34, 8 May 2018 diff hist +22 MRD:mmo116 No edit summary
15:3315:33, 8 May 2018 diff hist +854 MRD:mmo116 No edit summary
15:2715:27, 8 May 2018 diff hist 0 N File:MOS first TS.PNG No edit summary current
15:1015:10, 8 May 2018 diff hist +16 MRD:mmo116 No edit summary
15:0815:08, 8 May 2018 diff hist +71 MRD:mmo116 No edit summary
15:0415:04, 8 May 2018 diff hist +543 MRD:mmo116 No edit summary
15:0015:00, 8 May 2018 diff hist 0 N File:MOS 1000 step TS.PNG No edit summary current
14:3614:36, 8 May 2018 diff hist +769 N MRD:mmo116 Created page with "==Exercise 1: H + H<sub>2</sub> system== A potential energy surface shows how the potential energy of a system changes with changing interatomic distances. It can be used to..."

16:5916:59, 4 May 2018 diff hist +1,827 Rep:Mod:mmo116 2 No edit summary

10 May 2018

8 May 2018

4 May 2018