User contributions for Ag7518

8 May 2020

• 02:1702:17, 8 May 2020 diff hist 0 N File:Ag7518Setforrts.PNG No edit summary current
• 02:1502:15, 8 May 2020 diff hist 0 N File:Ag7518RtsforHFH.png No edit summary current
• 01:3801:38, 8 May 2020 diff hist −42 CP3MDag7518 →By inspecting the potential energy surfaces, classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?
• 01:3701:37, 8 May 2020 diff hist 0 N File:Ag7518HFHNEW.png No edit summary current
• 01:3101:31, 8 May 2020 diff hist +558 CP3MDag7518 →By inspecting the potential energy surfaces, classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved? Tag: Visual edit
• 01:2001:20, 8 May 2020 diff hist +697 CP3MDag7518 →Exercise 2: F-H-H system
• 01:1601:16, 8 May 2020 diff hist 0 N File:Ag7518H2Fenergy.png No edit summary current
• 01:1401:14, 8 May 2020 diff hist 0 CP3MDag7518 No edit summary
• 01:1301:13, 8 May 2020 diff hist +637 CP3MDag7518 No edit summary
• 01:0101:01, 8 May 2020 diff hist 0 N File:Ag7518HFHenergy.png No edit summary current
• 00:3100:31, 8 May 2020 diff hist +279 CP3MDag7518 No edit summary Tag: Visual edit

7 May 2020

• 22:0522:05, 7 May 2020 diff hist +120 CP3MDag7518 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 22:0422:04, 7 May 2020 diff hist +636 CP3MDag7518 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 18:2718:27, 7 May 2020 diff hist +266 CP3MDag7518 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 18:1118:11, 7 May 2020 diff hist +253 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table? Tag: Visual edit
• 17:3517:35, 7 May 2020 diff hist 0 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
• 17:3417:34, 7 May 2020 diff hist +32 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
• 17:2717:27, 7 May 2020 diff hist 0 N File:Ag7518Test5contour.png No edit summary current
• 17:2617:26, 7 May 2020 diff hist 0 N File:Ag7518Test4contour.png No edit summary current
• 17:2517:25, 7 May 2020 diff hist 0 N File:Ag7518Test3contour.png No edit summary current
• 17:2417:24, 7 May 2020 diff hist 0 N File:Ag7518Test2contour.png No edit summary current
• 17:2317:23, 7 May 2020 diff hist 0 N File:Ag7518Test1contour.png No edit summary current
• 02:2302:23, 7 May 2020 diff hist +343 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table? Tag: Visual edit
• 02:1902:19, 7 May 2020 diff hist +1,253 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table? Tag: Visual edit

6 May 2020

• 23:5423:54, 6 May 2020 diff hist 0 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
• 23:5423:54, 6 May 2020 diff hist +9 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
• 23:5323:53, 6 May 2020 diff hist 0 N File:Ag7518Test2new.PNG No edit summary current
• 23:4923:49, 6 May 2020 diff hist +1,851 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
• 23:0423:04, 6 May 2020 diff hist 0 N File:Ag7518Test5.png No edit summary current
• 23:0423:04, 6 May 2020 diff hist 0 N File:Ag7518Test4.png No edit summary current
• 23:0323:03, 6 May 2020 diff hist 0 N File:Ag7518Test3.png No edit summary current
• 23:0123:01, 6 May 2020 diff hist 0 N File:Test2.png No edit summary current
• 23:0123:01, 6 May 2020 diff hist +6 CP3MDag7518 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
• 23:0023:00, 6 May 2020 diff hist +628 CP3MDag7518 No edit summary
• 22:5922:59, 6 May 2020 diff hist 0 N File:Ag7518Test1.png No edit summary current
• 18:5418:54, 6 May 2020 diff hist +252 CP3MDag7518 No edit summary Tag: Visual edit
• 18:5118:51, 6 May 2020 diff hist +581 CP3MDag7518 →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
• 18:4318:43, 6 May 2020 diff hist +867 CP3MDag7518 No edit summary
• 18:2418:24, 6 May 2020 diff hist 0 N File:Ag7518Finalinitialmm.png No edit summary current
• 18:2218:22, 6 May 2020 diff hist 0 N File:Ag7518Finalinitial.png No edit summary current
• 18:0518:05, 6 May 2020 diff hist +391 CP3MDag7518 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
• 17:5717:57, 6 May 2020 diff hist +383 CP3MDag7518 No edit summary
• 17:5317:53, 6 May 2020 diff hist 0 N File:A7518R2918dynamicsmomenta.png No edit summary current
• 17:5217:52, 6 May 2020 diff hist 0 N File:Ag7518R2918mepdistance.png No edit summary current
• 17:5017:50, 6 May 2020 diff hist 0 N File:R2918dynamicsdistance.png No edit summary current
• 02:3002:30, 6 May 2020 diff hist +162 CP3MDag7518 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
• 02:2502:25, 6 May 2020 diff hist +175 CP3MDag7518 →Comment on how the mep and the trajectory you just calculated differ.
• 02:2202:22, 6 May 2020 diff hist 0 N File:Ag7518mmmep.png No edit summary current
• 02:1802:18, 6 May 2020 diff hist 0 N File:Ag7518Momentumdynamics.png No edit summary current
• 02:1802:18, 6 May 2020 diff hist +91 CP3MDag7518 →Comment on how the mep and the trajectory you just calculated differ.