User contributions for Bl1718

21 May 2020

• 13:4213:42, 21 May 2020 diff hist +36 MRD:Bl1718 No edit summary
• 13:4013:40, 21 May 2020 diff hist +2 MRD:Bl1718 →Exercise 2: F-H-H system
• 13:4013:40, 21 May 2020 diff hist −3 MRD:Bl1718 →Exercise 2: F-H-H system
• 13:3913:39, 21 May 2020 diff hist +34 MRD:Bl1718 →Exercise 2: F-H-H system
• 13:3813:38, 21 May 2020 diff hist +22 MRD:Bl1718 →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
• 13:3713:37, 21 May 2020 diff hist −12 MRD:Bl1718 →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?
• 13:3613:36, 21 May 2020 diff hist +58 MRD:Bl1718 →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?
• 08:2908:29, 21 May 2020 diff hist +37 MRD:Bl1718 No edit summary
• 08:2808:28, 21 May 2020 diff hist 0 N File:Surface Plot4bl1718.png No edit summary current
• 08:2708:27, 21 May 2020 diff hist 0 N File:Surface Plot3bl1718.png No edit summary current
• 08:2608:26, 21 May 2020 diff hist 0 N File:Surface Plot2 2.png No edit summary current
• 08:2608:26, 21 May 2020 diff hist 0 N File:Surface Plot1 2.png No edit summary current
• 08:1808:18, 21 May 2020 diff hist +469 MRD:Bl1718 →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?
• 07:5807:58, 21 May 2020 diff hist +178 MRD:Bl1718 →Locate the approximate position of the transition state
• 07:5507:55, 21 May 2020 diff hist +339 MRD:Bl1718 →Exercise 2: F-H-H system
• 06:4206:42, 21 May 2020 diff hist −6 MRD:Bl1718 →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?
• 06:4206:42, 21 May 2020 diff hist +1 MRD:Bl1718 →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?
• 06:4106:41, 21 May 2020 diff hist 0 File:Animation9.png Bl1718 uploaded a new version of File:Animation9.png current
• 06:3606:36, 21 May 2020 diff hist +5 MRD:Bl1718 →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?
• 06:3306:33, 21 May 2020 diff hist +4 MRD:Bl1718 →Comment on how the mep and the trajectory you just calculated differ
• 06:3206:32, 21 May 2020 diff hist −13 MRD:Bl1718 →Comment on how the mep and the trajectory you just calculated differ
• 06:3106:31, 21 May 2020 diff hist +329 MRD:Bl1718 No edit summary
• 06:2706:27, 21 May 2020 diff hist 0 N File:Animation11.png No edit summary current
• 06:2606:26, 21 May 2020 diff hist 0 N File:Animation10.png No edit summary current
• 06:2606:26, 21 May 2020 diff hist 0 N File:Animation9.png No edit summary
• 06:2606:26, 21 May 2020 diff hist 0 N File:Animation8.png No edit summary current
• 06:2506:25, 21 May 2020 diff hist 0 N File:Animation7.png No edit summary current
• 06:2506:25, 21 May 2020 diff hist 0 N File:Animation3 2.png No edit summary current
• 06:2406:24, 21 May 2020 diff hist 0 N File:Animation2 2.png No edit summary current
• 06:2406:24, 21 May 2020 diff hist 0 MRD:Bl1718 →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
• 06:2306:23, 21 May 2020 diff hist +7 MRD:Bl1718 →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
• 06:2206:22, 21 May 2020 diff hist +1 MRD:Bl1718 →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
• 06:2206:22, 21 May 2020 diff hist +7 MRD:Bl1718 No edit summary
• 06:1906:19, 21 May 2020 diff hist 0 N File:Animation1.png No edit summary current
• 06:1906:19, 21 May 2020 diff hist +803 MRD:Bl1718 No edit summary
• 06:0906:09, 21 May 2020 diff hist +853 MRD:Bl1718 No edit summary
• 06:0306:03, 21 May 2020 diff hist +275 MRD:Bl1718 No edit summary
• 05:5605:56, 21 May 2020 diff hist +191 MRD:Bl1718 No edit summary
• 05:0005:00, 21 May 2020 diff hist −234 MRD:Bl1718 No edit summary

20 May 2020

• 14:3014:30, 20 May 2020 diff hist +1,283 MRD:Bl1718 No edit summary Tag: Visual edit
• 14:2314:23, 20 May 2020 diff hist +2,102 N MRD:Bl1718 Created page with "Exercise 1: H-H-H system 1. Transition state is defined as the derivative of potential energy at a local maximum. To distinguish from a local minimum, you can look at the sec..."
• 14:1914:19, 20 May 2020 diff hist +490 Bl17182 No edit summary current Tag: Visual edit
• 13:5813:58, 20 May 2020 diff hist +1,515 Bl17182 No edit summary Tag: Visual edit
• 10:1010:10, 20 May 2020 diff hist +902 Bl17182 No edit summary Tag: Visual edit
• 05:1105:11, 20 May 2020 diff hist +336 Bl17182 No edit summary Tag: Visual edit
• 04:4004:40, 20 May 2020 diff hist +218 N Bl17182 Created page with "Transition state is defined as the derivative of potential energy at a local maximum. To distinguish from a local minimum, you can look at the second derivative of the point,..."

1 March 2019

• 12:2212:22, 1 March 2019 diff hist +180 PG12138 →HAJSOC
• 12:1112:11, 1 March 2019 diff hist −1 PG12138 →HAJSOC
• 12:0812:08, 1 March 2019 diff hist −45 PG12138 No edit summary
• 12:0312:03, 1 March 2019 diff hist +9 PG12138 →Molecular modeling