User contributions for Mtc3018
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8 May 2020
- 22:5122:51, 8 May 2020 diff hist +934 MRD:mtc3018 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Explain how this could be confirmed experimentally. Tag: Visual edit
- 22:3322:33, 8 May 2020 diff hist 0 N File:M plot2.png No edit summary current
- 22:3322:33, 8 May 2020 diff hist +172 MRD:mtc3018 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Explain how this could be confirmed experimentally.
- 22:3022:30, 8 May 2020 diff hist 0 N File:M plot1.png No edit summary current
- 22:2922:29, 8 May 2020 diff hist +1 MRD:mtc3018 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Explain how this could be confirmed experimentally. Tag: Visual edit
- 22:1722:17, 8 May 2020 diff hist +1,201 MRD:mtc3018 No edit summary Tag: Visual edit
- 21:2521:25, 8 May 2020 diff hist 0 MRD:mtc3018 →Report the activation energy for both reactions. Tag: Visual edit
- 21:2521:25, 8 May 2020 diff hist +1 MRD:mtc3018 →Report the activation energy for both reactions.
- 21:2321:23, 8 May 2020 diff hist +1 MRD:mtc3018 →Report the activation energy for both reactions.
- 21:2321:23, 8 May 2020 diff hist +88 MRD:mtc3018 →Report the activation energy for both reactions.
- 21:2221:22, 8 May 2020 diff hist 0 N File:M Figure 1.png No edit summary current
- 21:2221:22, 8 May 2020 diff hist +395 MRD:mtc3018 →Report the activation energy for both reactions. Tag: Visual edit
- 20:5620:56, 8 May 2020 diff hist +91 MRD:mtc3018 →Report the activation energy for both reactions.
- 20:5520:55, 8 May 2020 diff hist 0 N File:M en drop1.png No edit summary current
- 20:5420:54, 8 May 2020 diff hist +1 MRD:mtc3018 →Report the activation energy for both reactions. Tag: Visual edit
- 20:3420:34, 8 May 2020 diff hist −4 MRD:mtc3018 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
- 20:3020:30, 8 May 2020 diff hist +584 MRD:mtc3018 →Locate the approximate position of the transition state. Tag: Visual edit
- 20:1420:14, 8 May 2020 diff hist +539 MRD:mtc3018 →Locate the approximate position of the transition state. Tag: Visual edit
- 20:0620:06, 8 May 2020 diff hist 0 MRD:mtc3018 →Locate the approximate position of the transition state.
- 20:0520:05, 8 May 2020 diff hist +149 MRD:mtc3018 →Locate the approximate position of the transition state.
- 20:0420:04, 8 May 2020 diff hist 0 N File:M hf ts osc.png No edit summary current
- 20:0420:04, 8 May 2020 diff hist 0 N File:M ts hf.png No edit summary current
- 20:0320:03, 8 May 2020 diff hist +565 MRD:mtc3018 →EXERCISE 2: F - H - H system Tag: Visual edit
- 19:5519:55, 8 May 2020 diff hist +308 MRD:mtc3018 →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
- 19:5019:50, 8 May 2020 diff hist +116 MRD:mtc3018 →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?
- 19:4819:48, 8 May 2020 diff hist 0 N File:Hf 434 smallBC.png No edit summary current
- 19:4819:48, 8 May 2020 diff hist 0 N File:Hf 417 smallAB.png No edit summary current
- 19:4719:47, 8 May 2020 diff hist +281 MRD:mtc3018 →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
- 12:2712:27, 8 May 2020 diff hist +669 MRD:mtc3018 →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
- 12:1512:15, 8 May 2020 diff hist +1,578 MRD:mtc3018 →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
- 11:2411:24, 8 May 2020 diff hist +69 MRD:mtc3018 →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
- 07:3707:37, 8 May 2020 diff hist +1 MRD:mtc3018 →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?
- 07:3707:37, 8 May 2020 diff hist −5 MRD:mtc3018 →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?
- 07:3607:36, 8 May 2020 diff hist +23 MRD:mtc3018 →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?
- 07:3607:36, 8 May 2020 diff hist +1 MRD:mtc3018 →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
- 07:3407:34, 8 May 2020 diff hist +120 MRD:mtc3018 →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?
- 07:3307:33, 8 May 2020 diff hist 0 N File:M reaction5.png No edit summary current
- 07:3207:32, 8 May 2020 diff hist 0 N File:M reaction4.png No edit summary current
- 07:3207:32, 8 May 2020 diff hist 0 N File:M reaction3.png No edit summary current
- 07:3207:32, 8 May 2020 diff hist 0 N File:M reaction1.png No edit summary current
- 07:3207:32, 8 May 2020 diff hist 0 N File:M reaction2.png No edit summary current
- 07:3107:31, 8 May 2020 diff hist +152 MRD:mtc3018 →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
- 07:1407:14, 8 May 2020 diff hist +30 MRD:mtc3018 →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?
- 07:1307:13, 8 May 2020 diff hist +382 MRD:mtc3018 →Exercise 1: H + H2 system
- 07:1307:13, 8 May 2020 diff hist +252 MRD:mtc3018 →Exercise 1: H + H2 system Tag: Visual edit
- 07:1007:10, 8 May 2020 diff hist 0 MRD:mtc3018 →Comment on how the mep and the trajectory you just calculated differ.
- 07:0807:08, 8 May 2020 diff hist +55 MRD:mtc3018 →Comment on how the mep and the trajectory you just calculated differ.
- 07:0107:01, 8 May 2020 diff hist +110 MRD:mtc3018 →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.
- 06:5906:59, 8 May 2020 diff hist +53 MRD:mtc3018 →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.
- 06:5706:57, 8 May 2020 diff hist 0 N File:Ts osc.png No edit summary current