User contributions for Hk3918
15 May 2020
- 02:3502:35, 15 May 2020 diff hist 0 MRD:01524831.molecularreactiondynamics →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
- 01:0901:09, 15 May 2020 diff hist +58 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 01:0801:08, 15 May 2020 diff hist +123 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 01:0001:00, 15 May 2020 diff hist +116 MRD:01524831.molecularreactiondynamics →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?
- 00:5900:59, 15 May 2020 diff hist +21 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 00:5800:58, 15 May 2020 diff hist +32 N File:Surface Plot 181.8 hk3918.png early Transition state of F + H2 current
- 00:5700:57, 15 May 2020 diff hist +29 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 00:5500:55, 15 May 2020 diff hist +664 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 00:3600:36, 15 May 2020 diff hist −687 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state
- 00:3500:35, 15 May 2020 diff hist −1,777 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
14 May 2020
- 02:5602:56, 14 May 2020 diff hist −1 MRD:01524831.molecularreactiondynamics →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?
- 02:5302:53, 14 May 2020 diff hist +1 MRD:01524831.molecularreactiondynamics →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?
- 02:5002:50, 14 May 2020 diff hist +276 MRD:01524831.molecularreactiondynamics →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?
- 02:4402:44, 14 May 2020 diff hist +718 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 02:3802:38, 14 May 2020 diff hist 0 N File:Surface Plot endothermic distance hk3918.png No edit summary current
- 02:3802:38, 14 May 2020 diff hist 0 N File:Surface Plot endothermic hk3918.png No edit summary current
- 02:0702:07, 14 May 2020 diff hist +393 MRD:01524831.molecularreactiondynamics →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?
- 02:0302:03, 14 May 2020 diff hist 0 N File:Surface Plot distance exo hk3918.png No edit summary current
- 02:0302:03, 14 May 2020 diff hist 0 N File:Surface Plot exothermic energy hk3918.png No edit summary current
- 02:0202:02, 14 May 2020 diff hist +18 MRD:01524831.molecularreactiondynamics →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
- 02:0202:02, 14 May 2020 diff hist +1,059 MRD:01524831.molecularreactiondynamics →Locate the approximate position of the transition state Tag: Visual edit
- 01:3001:30, 14 May 2020 diff hist +65 MRD:01524831.molecularreactiondynamics →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
- 01:2801:28, 14 May 2020 diff hist +264 MRD:01524831.molecularreactiondynamics →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
- 01:2601:26, 14 May 2020 diff hist +147 MRD:01524831.molecularreactiondynamics →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?
- 01:2301:23, 14 May 2020 diff hist 0 N File:Surface Plot hf-h hk3918.png No edit summary current
13 May 2020
- 18:3118:31, 13 May 2020 diff hist +619 MRD:01524831.molecularreactiondynamics →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
- 18:2618:26, 13 May 2020 diff hist +140 MRD:01524831.molecularreactiondynamics →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?
- 18:2318:23, 13 May 2020 diff hist 0 N File:Surface Plot HF hk3918.png No edit summary current
- 17:5817:58, 13 May 2020 diff hist +242 MRD:01524831.molecularreactiondynamics →Exercise 2 Tag: Visual edit
- 17:5817:58, 13 May 2020 diff hist +18 MRD:01524831.molecularreactiondynamics →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 17:5717:57, 13 May 2020 diff hist +90 MRD:01524831.molecularreactiondynamics →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 17:5317:53, 13 May 2020 diff hist +587 MRD:01524831.molecularreactiondynamics →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
- 17:0017:00, 13 May 2020 diff hist +181 MRD:01524831.molecularreactiondynamics →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
- 16:5616:56, 13 May 2020 diff hist +245 MRD:01524831.molecularreactiondynamics →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
- 16:5316:53, 13 May 2020 diff hist +214 MRD:01524831.molecularreactiondynamics →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?
- 16:4816:48, 13 May 2020 diff hist 0 N File:Animation p2 -10.6 hk3918.png No edit summary current
- 16:4716:47, 13 May 2020 diff hist 0 N File:Animation exercise2 p2 -10.1 hk3918.png No edit summary current
- 16:4716:47, 13 May 2020 diff hist 0 N File:Animation exercise2 p2 -5.1 p1 -3.1 hk3918.png No edit summary current
- 16:4616:46, 13 May 2020 diff hist 0 N File:Animation exercise2 p2 -4.1 hk3918.png No edit summary current
- 16:4416:44, 13 May 2020 diff hist +752 MRD:01524831.molecularreactiondynamics →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
- 02:5402:54, 13 May 2020 diff hist +186 MRD:01524831.molecularreactiondynamics →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
- 02:4902:49, 13 May 2020 diff hist +50 MRD:01524831.molecularreactiondynamics →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?
- 02:4602:46, 13 May 2020 diff hist −60 MRD:01524831.molecularreactiondynamics →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?
- 02:4402:44, 13 May 2020 diff hist +60 MRD:01524831.molecularreactiondynamics →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: Switched
- 02:3902:39, 13 May 2020 diff hist 0 N File:Surface Plot question4 1 hk3918.png No edit summary current
- 02:3702:37, 13 May 2020 diff hist +785 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system Tag: Visual edit
- 01:5101:51, 13 May 2020 diff hist +698 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system Tag: Visual edit
- 01:4501:45, 13 May 2020 diff hist +754 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system Tag: Visual edit
- 01:3201:32, 13 May 2020 diff hist −103 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system
