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User contributions for Hbb15

Results for Hbb15 talk block log uploads logs

A user with 154 edits. Account created on 14 March 2016.

16:4316:43, 26 May 2017 diff hist −4 MRD:Hajera →8. Report the activation energy for both reactions. Tag: Visual edit
16:4016:40, 26 May 2017 diff hist +976 MRD:Hajera →10. Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state. Tag: Visual edit
16:2316:23, 26 May 2017 diff hist +379 MRD:Hajera No edit summary
16:1916:19, 26 May 2017 diff hist +21 MRD:Hajera →8. Report the activation energy for both reactions. Tag: Visual edit
16:1716:17, 26 May 2017 diff hist +459 MRD:Hajera No edit summary
16:0716:07, 26 May 2017 diff hist +45 MRD:Hajera No edit summary
16:0516:05, 26 May 2017 diff hist 0 N File:Hbb15 Q7.png No edit summary current
16:0516:05, 26 May 2017 diff hist +168 MRD:Hajera No edit summary Tag: Visual edit
16:0016:00, 26 May 2017 diff hist +159 MRD:Hajera →EXERCISE 2: F - H - H system Tag: Visual edit
15:5315:53, 26 May 2017 diff hist +213 MRD:Hajera →5. 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
15:3215:32, 26 May 2017 diff hist −153 MRD:Hajera No edit summary
15:3115:31, 26 May 2017 diff hist +498 MRD:Hajera →4. Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
15:1915:19, 26 May 2017 diff hist +353 MRD:Hajera No edit summary Tag: Visual edit
15:0915:09, 26 May 2017 diff hist +107 MRD:Hajera No edit summary
14:5514:55, 26 May 2017 diff hist +4 MRD:Hajera →3. Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
14:5314:53, 26 May 2017 diff hist −6 MRD:Hajera →3. Comment on how the mep and the trajectory you just calculated differ.
14:5214:52, 26 May 2017 diff hist +593 MRD:Hajera No edit summary
14:4014:40, 26 May 2017 diff hist 0 N File:Hbb15 Q3 diff.png No edit summary current
14:2914:29, 26 May 2017 diff hist 0 N File:Hbb15 Q3 MEPm.png No edit summary current
14:2914:29, 26 May 2017 diff hist 0 N File:Hbb15 Q3 Dm.png No edit summary current
14:2514:25, 26 May 2017 diff hist +106 MRD:Hajera →4. Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory. Tag: Visual edit
14:1414:14, 26 May 2017 diff hist +385 MRD:Hajera No edit summary
14:1114:11, 26 May 2017 diff hist +75 MRD:Hajera →4. Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory. Tag: Visual edit
14:0814:08, 26 May 2017 diff hist 0 N File:Hbb15 Q4 5.png No edit summary current
14:0714:07, 26 May 2017 diff hist 0 N File:Hbb15 Q4 4.png No edit summary current
14:0714:07, 26 May 2017 diff hist 0 N File:Hbb15 Q4 3.png No edit summary current
14:0614:06, 26 May 2017 diff hist 0 N File:Hbb15 Q4 2.png No edit summary current
14:0614:06, 26 May 2017 diff hist 0 N File:Hbb15 Q4 1.png No edit summary current
13:5913:59, 26 May 2017 diff hist −2 MRD:Hajera →4. Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory. Tag: Visual edit
13:4513:45, 26 May 2017 diff hist +8 MRD:Hajera →2. Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory. Tag: Visual edit
13:3813:38, 26 May 2017 diff hist −2 MRD:Hajera No edit summary
13:3713:37, 26 May 2017 diff hist +2 MRD:Hajera →EXERCISE 1: H + H2 system Tag: Visual edit
13:3613:36, 26 May 2017 diff hist +141 MRD:Hajera No edit summary
13:3213:32, 26 May 2017 diff hist +5 MRD:Hajera →1. What value does the total 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 potential energy surface.
13:3113:31, 26 May 2017 diff hist +105 MRD:Hajera No edit summary
12:4612:46, 26 May 2017 diff hist +296 MRD:Hajera No edit summary
12:3212:32, 26 May 2017 diff hist +228 MRD:Hajera No edit summary
12:2412:24, 26 May 2017 diff hist +10 MRD:Hajera No edit summary
12:2012:20, 26 May 2017 diff hist −6 MRD:Hajera No edit summary
12:1712:17, 26 May 2017 diff hist +46 MRD:Hajera No edit summary

15:4315:43, 18 May 2017 diff hist +177 MRD:Hajera No edit summary Tag: Visual edit
14:4814:48, 18 May 2017 diff hist +8 MRD:Hajera →4. Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory. Tag: Visual edit
14:2714:27, 18 May 2017 diff hist 0 MRD:Hajera No edit summary
14:2614:26, 18 May 2017 diff hist +10 MRD:Hajera No edit summary
14:1614:16, 18 May 2017 diff hist +59 MRD:Hajera No edit summary
14:0314:03, 18 May 2017 diff hist +572 MRD:Hajera No edit summary
14:0214:02, 18 May 2017 diff hist 0 N File:Hbb15 Q2 P.png No edit summary current
13:2813:28, 18 May 2017 diff hist +8 MRD:Hajera No edit summary
13:2713:27, 18 May 2017 diff hist 0 File:Hbb15 Q2.png Hbb15 uploaded a new version of File:Hbb15 Q2.png current
13:2413:24, 18 May 2017 diff hist +15 MRD:Hajera No edit summary

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