User contributions for Msf116

11 May 2018

• 17:0017:00, 11 May 2018 diff hist +9 MRD:SanzianaFoia01118973-2018 →Reaction Dynamics Tag: Visual edit
• 16:5916:59, 11 May 2018 diff hist +281 MRD:SanzianaFoia01118973-2018 →Activating energies for the F+H2 and H+HF reactions Tag: Visual edit
• 16:5716:57, 11 May 2018 diff hist +245 MRD:SanzianaFoia01118973-2018 No edit summary Tag: Visual edit
• 16:5616:56, 11 May 2018 diff hist 0 N File:Reactive 01118973.png No edit summary current
• 16:5516:55, 11 May 2018 diff hist 0 N File:Reactiiiii01118973iSanzianaiive.png No edit summary current
• 16:4816:48, 11 May 2018 diff hist +451 MRD:SanzianaFoia01118973-2018 →Exercise 2: the F-H-H system Tag: Visual edit
• 16:4516:45, 11 May 2018 diff hist +37 MRD:SanzianaFoia01118973-2018 →Locating the transition state Tag: Visual edit
• 16:4416:44, 11 May 2018 diff hist 0 N File:TSFdist.png No edit summary current
• 16:4416:44, 11 May 2018 diff hist +231 MRD:SanzianaFoia01118973-2018 →Locating the transition state Tag: Visual edit
• 16:4316:43, 11 May 2018 diff hist 0 N File:TSFcontour.png No edit summary current
• 16:3916:39, 11 May 2018 diff hist +763 MRD:SanzianaFoia01118973-2018 →Exercise 2: the F-H-H system Tag: Visual edit
• 16:3416:34, 11 May 2018 diff hist 0 N File:Surface Plot endoexo.png No edit summary current
• 16:3116:31, 11 May 2018 diff hist +139 MRD:SanzianaFoia01118973-2018 →Exercise 1: H+H2 system Tag: Visual edit
• 16:2116:21, 11 May 2018 diff hist +764 MRD:SanzianaFoia01118973-2018 →Distinguishing between transition state and minimum points Tag: Visual edit
• 16:1516:15, 11 May 2018 diff hist +443 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories Tag: Visual edit
• 16:0916:09, 11 May 2018 diff hist +266 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories Tag: Visual edit
• 16:0516:05, 11 May 2018 diff hist +179 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories Tag: Visual edit
• 16:0316:03, 11 May 2018 diff hist +16 MRD:SanzianaFoia01118973-2018 No edit summary
• 16:0016:00, 11 May 2018 diff hist −20 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories
• 15:5815:58, 11 May 2018 diff hist +25 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories
• 15:5615:56, 11 May 2018 diff hist +97 MRD:SanzianaFoia01118973-2018 →Estimating transition state position Tag: Visual edit
• 15:5515:55, 11 May 2018 diff hist +250 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories Tag: Visual edit
• 15:5515:55, 11 May 2018 diff hist 0 N File:Q4 5 contour01118973.png No edit summary current
• 15:5415:54, 11 May 2018 diff hist 0 N File:Q4 4 contour01118973.png No edit summary current
• 15:5315:53, 11 May 2018 diff hist 0 N File:Q4 3 contour01118973.png No edit summary current
• 15:5315:53, 11 May 2018 diff hist 0 N File:Q4 2 contour01118973.png No edit summary current
• 15:5115:51, 11 May 2018 diff hist 0 N File:Q4 1 contour01118973.png No edit summary current
• 15:4915:49, 11 May 2018 diff hist −3 MRD:SanzianaFoia01118973-2018 →Reactive and unreactive trajectories Tag: Visual edit
• 15:4715:47, 11 May 2018 diff hist −231 MRD:SanzianaFoia01118973-2018 →Estimating transition state position Tag: Visual edit
• 15:4515:45, 11 May 2018 diff hist +400 MRD:SanzianaFoia01118973-2018 →Estimating transition state position Tag: Visual edit
• 15:3315:33, 11 May 2018 diff hist +179 MRD:SanzianaFoia01118973-2018 →1. What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the pote Tag: Visual edit

10 May 2018

• 14:2914:29, 10 May 2018 diff hist +551 MRD:SanzianaFoia01118973-2018 →4. Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happ Tag: Visual edit
• 14:2514:25, 10 May 2018 diff hist +277 MRD:SanzianaFoia01118973-2018 No edit summary
• 14:2414:24, 10 May 2018 diff hist 0 MRD:SanzianaFoia01118973-2018 No edit summary
• 14:2314:23, 10 May 2018 diff hist +85 MRD:SanzianaFoia01118973-2018 No edit summary Tag: Visual edit: Switched
• 14:2014:20, 10 May 2018 diff hist 0 N File:Q2 InternuclearDistanceVSTime plot TS MEP 01118973.png No edit summary current
• 14:1714:17, 10 May 2018 diff hist +351 m MRD:SanzianaFoia01118973-2018 →1. What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the pote Tag: Visual edit
• 14:1214:12, 10 May 2018 diff hist +683 N MRD:SanzianaFoia01118973-2018 Created page with " == 1. What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and t..."

24 March 2017

• 17:5817:58, 24 March 2017 diff hist +158 Rep:Mod:SFOIA3009 No edit summary
• 17:5417:54, 24 March 2017 diff hist +96 Rep:Mod:SFOIA3009 No edit summary
• 17:5117:51, 24 March 2017 diff hist +171 Rep:Mod:SFOIA3009 No edit summary
• 17:4717:47, 24 March 2017 diff hist +12 Rep:Mod:SFOIA3009 No edit summary
• 17:4517:45, 24 March 2017 diff hist +6 Rep:Mod:SFOIA3009 No edit summary
• 17:4317:43, 24 March 2017 diff hist +115 Rep:Mod:SFOIA3009 No edit summary
• 17:4017:40, 24 March 2017 diff hist 0 Rep:Mod:SFOIA3009 No edit summary
• 17:3817:38, 24 March 2017 diff hist −1 Rep:Mod:SFOIA3009 No edit summary
• 17:3817:38, 24 March 2017 diff hist +1 Rep:Mod:SFOIA3009 No edit summary
• 17:3717:37, 24 March 2017 diff hist +189 Rep:Mod:SFOIA3009 No edit summary
• 17:3417:34, 24 March 2017 diff hist +11 Rep:Mod:SFOIA3009 No edit summary
• 17:3217:32, 24 March 2017 diff hist +4 Rep:Mod:SFOIA3009 No edit summary