User contributions for Am8616
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11 May 2018
- 13:1413:14, 11 May 2018 diff hist −3 MRD:am8616 →Report the activation energy for both reactions.
- 13:1313:13, 11 May 2018 diff hist +4 MRD:am8616 →Report the activation energy for both reactions.
- 13:1313:13, 11 May 2018 diff hist −2 MRD:am8616 →Report the activation energy for both reactions.
- 13:1213:12, 11 May 2018 diff hist −2 MRD:am8616 →Report the activation energy for both reactions.
- 13:1213:12, 11 May 2018 diff hist +2 MRD:am8616 →Report the activation energy for both reactions.
- 13:1113:11, 11 May 2018 diff hist +123 MRD:am8616 →Report the activation energy for both reactions.
- 13:1013:10, 11 May 2018 diff hist 0 N File:H2 + F activation energy energy plot.PNG No edit summary current
- 13:0913:09, 11 May 2018 diff hist +119 MRD:am8616 →EXERCISE 2: F - H - H system
- 13:0813:08, 11 May 2018 diff hist +144 MRD:am8616 →Report the activation energy for both reactions. Tag: Visual edit
- 13:0813:08, 11 May 2018 diff hist 0 N File:H2 + F activation energy new.PNG No edit summary current
- 12:5112:51, 11 May 2018 diff hist +357 MRD:am8616 →Report the activation energy for both reactions. Tag: Visual edit
- 11:5911:59, 11 May 2018 diff hist +43 MRD:am8616 →Report the activation energy for both reactions. Tag: Visual edit
- 11:2511:25, 11 May 2018 diff hist +242 MRD:am8616 →Q5: 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? Tag: Visual edit
- 11:0011:00, 11 May 2018 diff hist +508 MRD:am8616 →Q5: 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? Tag: Visual edit
- 10:3510:35, 11 May 2018 diff hist +630 MRD:am8616 /* Q4: 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 happe...
- 10:1310:13, 11 May 2018 diff hist +593 MRD:am8616 /* Q4: 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 happe...
- 09:5209:52, 11 May 2018 diff hist +77 MRD:am8616 →Q2: Finding the transition state position on a potential energy surface. Tag: Visual edit
- 09:4509:45, 11 May 2018 diff hist −1 MRD:am8616 →Q1: What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the Tag: Visual edit
- 09:3209:32, 11 May 2018 diff hist +214 MRD:am8616 →Q3: Comment on how the mep and the trajectory you just calculated differ.
- 09:2809:28, 11 May 2018 diff hist +941 MRD:am8616 →Q3: Comment on how the mep and the trajectory you just calculated differ.
- 09:2709:27, 11 May 2018 diff hist 0 N File:Internuclear momenta vs time new.PNG No edit summary current
- 09:1009:10, 11 May 2018 diff hist +4 MRD:am8616 →H + H2 system
- 09:0909:09, 11 May 2018 diff hist 0 N File:Internuclear distance for r=ts and r=ts + 0.01 new.PNG No edit summary current
- 09:0709:07, 11 May 2018 diff hist +146 MRD:am8616 →H + H2 system
- 09:0609:06, 11 May 2018 diff hist +249 MRD:am8616 →Q3: Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
- 08:5708:57, 11 May 2018 diff hist +68 MRD:am8616 →Q3: Comment on how the mep and the trajectory you just calculated differ.
- 08:5308:53, 11 May 2018 diff hist 0 N File:Internuclear distance for r=ts and r=ts + 0.01.PNG No edit summary current
10 May 2018
- 19:1719:17, 10 May 2018 diff hist +58 MRD:am8616 →EXERCISE 2: F - H - H system Tag: Visual edit
- 19:0819:08, 10 May 2018 diff hist +131 MRD:am8616 →Locate the approximate position of the transition state.
- 19:0719:07, 10 May 2018 diff hist 0 N File:TS of H + HF.PNG No edit summary current
- 19:0219:02, 10 May 2018 diff hist +19 MRD:am8616 →Locate the approximate position of the transition state.
- 19:0219:02, 10 May 2018 diff hist +3 MRD:am8616 →Locate the approximate position of the transition state.
- 19:0219:02, 10 May 2018 diff hist −3 MRD:am8616 →Locate the approximate position of the transition state.
- 19:0119:01, 10 May 2018 diff hist +4 MRD:am8616 →Locate the approximate position of the transition state.
- 19:0019:00, 10 May 2018 diff hist +179 MRD:am8616 →Locate the approximate position of the transition state.
- 18:5818:58, 10 May 2018 diff hist 0 N File:TS of H2 + F left.PNG No edit summary current
- 18:5818:58, 10 May 2018 diff hist −1 MRD:am8616 →Locate the approximate position of the transition state.
- 18:5718:57, 10 May 2018 diff hist +2 MRD:am8616 →Locate the approximate position of the transition state.
- 18:5718:57, 10 May 2018 diff hist +285 MRD:am8616 →EXERCISE 2: F - H - H system
- 18:5518:55, 10 May 2018 diff hist 0 File:TS of H2 + F right.PNG Am8616 uploaded a new version of File:TS of H2 + F right.PNG current
- 18:5318:53, 10 May 2018 diff hist 0 N File:TS of H2 + F.PNG No edit summary current
- 18:4918:49, 10 May 2018 diff hist +594 MRD:am8616 →Locate the approximate position of the transition state. Tag: Visual edit
- 18:4918:49, 10 May 2018 diff hist 0 N File:TS of H2 + F right.PNG No edit summary
- 18:2718:27, 10 May 2018 diff hist +313 MRD:am8616 →Locate the approximate position of the transition state. Tag: Visual edit
- 18:2318:23, 10 May 2018 diff hist +30 MRD:am8616 →Locate the approximate position of the transition state.
- 18:1518:15, 10 May 2018 diff hist +363 MRD:am8616 →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?
- 18:1418:14, 10 May 2018 diff hist 0 N File:HF + H Surface Plot.PNG No edit summary current
- 18:1018:10, 10 May 2018 diff hist +82 MRD:am8616 →Locate the approximate position of the transition state.
- 16:3516:35, 10 May 2018 diff hist 0 MRD:am8616 /* Q4: 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 happe...
- 16:3316:33, 10 May 2018 diff hist +2 MRD:am8616 /* Q4: 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 happe...