User contributions for Nk1616
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24 May 2018
- 21:2721:27, 24 May 2018 diff hist +138 MRD:nk2018 →Identify a set of initial conditions that results in a reactive trajectory for the F + H2
- 21:2221:22, 24 May 2018 diff hist +108 MRD:nk2018 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 20:3820:38, 24 May 2018 diff hist +155 MRD:nk2018 →Report the activation energy for both reactions.
- 20:3620:36, 24 May 2018 diff hist +80 MRD:nk2018 →Report the activation energy for both reactions.
- 20:3020:30, 24 May 2018 diff hist +302 MRD:nk2018 →Report the activation energy for both reactions.
- 20:1820:18, 24 May 2018 diff hist +11 MRD:nk2018 →Report the activation energy for both reactions.
- 20:1620:16, 24 May 2018 diff hist 0 N File:FHH GRAPH 2 nk2018.png No edit summary current
- 20:1520:15, 24 May 2018 diff hist 0 N File:FHH GRAPH 1 nk2018.png No edit summary current
- 20:1520:15, 24 May 2018 diff hist +207 MRD:nk2018 →Report the activation energy for both reactions.
- 19:2119:21, 24 May 2018 diff hist +56 MRD:nk2018 →Locate the approximate position of the transition state
- 19:0519:05, 24 May 2018 diff hist +341 MRD:nk2018 →Locate the approximate position of the transition state
- 18:3118:31, 24 May 2018 diff hist 0 N File:TS FHH nk2018.png No edit summary current
- 18:3118:31, 24 May 2018 diff hist +51 MRD:nk2018 →Locate the approximate position of the transition state
- 18:3018:30, 24 May 2018 diff hist +169 MRD:nk2018 →Locate the approximate position of the transition state
- 18:1118:11, 24 May 2018 diff hist +63 MRD:nk2018 →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?
- 18:1018:10, 24 May 2018 diff hist 0 MRD:nk2018 →State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 18:0718:07, 24 May 2018 diff hist +205 MRD:nk2018 →State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 17:4417:44, 24 May 2018 diff hist +96 MRD:nk2018 →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?
- 17:3717:37, 24 May 2018 diff hist 0 N File:Proton transfer nk2018.png No edit summary current
- 17:3617:36, 24 May 2018 diff hist +148 MRD:nk2018 →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?
- 17:1417:14, 24 May 2018 diff hist +262 MRD:nk2018 →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?
- 16:1516:15, 24 May 2018 diff hist 0 MRD:nk2018 →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?
- 16:1416:14, 24 May 2018 diff hist 0 N File:FHH Surface nk2018.png No edit summary current
- 16:1416:14, 24 May 2018 diff hist +56 MRD:nk2018 →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?
- 16:1316:13, 24 May 2018 diff hist +38 MRD:nk2018 →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?
- 15:5515:55, 24 May 2018 diff hist +199 MRD:nk2018 →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?
- 15:3215:32, 24 May 2018 diff hist +183 MRD:nk2018 →EXERCISE 2: F - H - H system
- 15:2715:27, 24 May 2018 diff hist +35 MRD:nk2018 →State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 15:2515:25, 24 May 2018 diff hist +212 MRD:nk2018 /* 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 happens alon...
- 15:2515:25, 24 May 2018 diff hist +530 MRD:nk2018 /* 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 happens alon...
- 15:0515:05, 24 May 2018 diff hist +61 MRD:nk2018 /* 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 happens alon...
- 14:5914:59, 24 May 2018 diff hist +134 MRD:nk2018 /* 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 happens alon...
- 14:5714:57, 24 May 2018 diff hist +92 MRD:nk2018 /* 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 happens alon...
- 14:4614:46, 24 May 2018 diff hist 0 N File:Table5 contour nk2018.png No edit summary current
- 14:4614:46, 24 May 2018 diff hist 0 N File:Table4 contour nk2018.png No edit summary current
- 14:4614:46, 24 May 2018 diff hist 0 N File:Table3 contour nk2018.png No edit summary current
- 14:4614:46, 24 May 2018 diff hist 0 N File:Table2 contour nk2018.png No edit summary current
- 14:4514:45, 24 May 2018 diff hist +276 MRD:nk2018 /* 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 happens alon...
- 14:2714:27, 24 May 2018 diff hist +105 MRD:nk2018 /* 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 happens alon...
- 14:2314:23, 24 May 2018 diff hist 0 N File:Table1 contour nk2018.png No edit summary current
- 14:2214:22, 24 May 2018 diff hist +58 MRD:nk2018 /* 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 happens alon...
- 14:1714:17, 24 May 2018 diff hist +254 MRD:nk2018 /* 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 happens alon...
- 14:0314:03, 24 May 2018 diff hist +151 MRD:nk2018 →Comment on how the mep and the trajectory you just calculated differ.
- 13:4413:44, 24 May 2018 diff hist +274 MRD:nk2018 No edit summary
- 13:4413:44, 24 May 2018 diff hist +517 MRD:nk2018 →Comment on how the mep and the trajectory you just calculated differ.
- 11:5611:56, 24 May 2018 diff hist 0 N File:IMT MEP nk2018.png No edit summary current
- 11:5611:56, 24 May 2018 diff hist 0 N File:IMT Dynamics nk2018.png No edit summary current
- 11:5611:56, 24 May 2018 diff hist 0 N File:IDT MEP nk2018.png No edit summary current
- 11:5511:55, 24 May 2018 diff hist 0 N File:IDT Dynamics nk2018.png No edit summary current
- 11:5411:54, 24 May 2018 diff hist 0 N File:Contour MEP nk2018.png No edit summary current