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Results for Sjp115 talk block log uploads logs

A user with 1,139 edits. Account created on 15 February 2016.

09:2409:24, 30 January 2018 diff hist 0 N File:MgO Phonon DOS 1x1x1.PNG No edit summary current
09:1809:18, 30 January 2018 diff hist +46 Rep:SJP115 Thermal Expansion Of MgO No edit summary
09:1709:17, 30 January 2018 diff hist 0 N File:MgO Phonon Dispersion 1x1x1.PNG No edit summary current
09:1509:15, 30 January 2018 diff hist +2 Rep:SJP115 Thermal Expansion Of MgO No edit summary

22:5522:55, 28 January 2018 diff hist +801 Rep:SJP115 Thermal Expansion Of MgO No edit summary Tag: Visual edit
22:1922:19, 28 January 2018 diff hist +120 Rep:SJP115 Thermal Expansion Of MgO No edit summary
21:4721:47, 28 January 2018 diff hist +926 Rep:SJP115 Thermal Expansion Of MgO No edit summary
18:2718:27, 28 January 2018 diff hist +91 Rep:SJP115 Thermal Expansion Of MgO →Introduction
18:2318:23, 28 January 2018 diff hist +27 Rep:SJP115 Thermal Expansion Of MgO →Introduction
18:2218:22, 28 January 2018 diff hist +3 Rep:SJP115 Thermal Expansion Of MgO →Introduction
18:1218:12, 28 January 2018 diff hist −31 Rep:SJP115 Thermal Expansion Of MgO →Thermal Expansion of MgO By Sarah Patterson Tag: Visual edit
18:1118:11, 28 January 2018 diff hist +836 Rep:SJP115 Thermal Expansion Of MgO →Thermal Expansion of MgO By Sarah Patterson
17:3917:39, 28 January 2018 diff hist +2 Rep:SJP115 Thermal Expansion Of MgO →Thermal Expansion of MgO By Sarah Patterson
17:3717:37, 28 January 2018 diff hist +5,426 Rep:SJP115 Thermal Expansion Of MgO No edit summary
17:3617:36, 28 January 2018 diff hist +50 N Rep:SJP115 Thermal Expansion Of MgO Created page with " == Thermal Expansion of MgO By Sarah Patterson =="

15:3115:31, 5 May 2017 diff hist +1,103 Sarah Patterson 01080651 CP3MD →Question 5:-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. current Tag: Visual edit
14:5214:52, 5 May 2017 diff hist +30 Sarah Patterson 01080651 CP3MD →Question 5:-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.
14:5214:52, 5 May 2017 diff hist +823 Sarah Patterson 01080651 CP3MD →Question 5:-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.
14:3214:32, 5 May 2017 diff hist +207 Sarah Patterson 01080651 CP3MD /* Question 4:- Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Internuclear Momenta vs Time”. In light of the fact that energy is conserved, discuss the mechanism of...
14:2914:29, 5 May 2017 diff hist +12 Sarah Patterson 01080651 CP3MD No edit summary
14:2914:29, 5 May 2017 diff hist +326 Sarah Patterson 01080651 CP3MD /* Question 4:- Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Internuclear Momenta vs Time”. In light of the fact that energy is conserved, discuss the mechanism of rel Tag: Visual edit
14:2814:28, 5 May 2017 diff hist −284 Sarah Patterson 01080651 CP3MD →Question 2:- Locate the approximate position of the transition state. Tag: Visual edit
14:2414:24, 5 May 2017 diff hist +294 Sarah Patterson 01080651 CP3MD →Question 2:- Locate the approximate position of the transition state. Tag: Visual edit
14:1714:17, 5 May 2017 diff hist +112 Sarah Patterson 01080651 CP3MD →Question 2:- Locate the approximate position of the transition state.
14:1514:15, 5 May 2017 diff hist +246 Sarah Patterson 01080651 CP3MD →Question 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.
14:1214:12, 5 May 2017 diff hist +14 Sarah Patterson 01080651 CP3MD →Question 3:-Comment on how the mep and the trajectory you just calculated differ.Comment on how the mep and the trajectory you just calculated differ.
14:1214:12, 5 May 2017 diff hist +112 Sarah Patterson 01080651 CP3MD →Question 3:-Comment on how the mep and the trajectory you just calculated differ.Comment on how the mep and the trajectory you just calculated differ.
14:1014:10, 5 May 2017 diff hist +225 Sarah Patterson 01080651 CP3MD →Question 3:- Report the activation energy for both reactions.
14:0714:07, 5 May 2017 diff hist +84 Sarah Patterson 01080651 CP3MD →Question 2:- Locate the approximate position of the transition state. Tag: Visual edit
13:5213:52, 5 May 2017 diff hist +1 Sarah Patterson 01080651 CP3MD →Question 1:- 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?
13:5213:52, 5 May 2017 diff hist +1 Sarah Patterson 01080651 CP3MD →EXERCISE 2: F - H - H system
13:5213:52, 5 May 2017 diff hist +312 Sarah Patterson 01080651 CP3MD No edit summary
13:4813:48, 5 May 2017 diff hist 0 File:F + H2-Surface plot.PNG Sjp115 uploaded a new version of File:F + H2-Surface plot.PNG current
13:4613:46, 5 May 2017 diff hist 0 N File:H +HF contour.PNG No edit summary current
13:4113:41, 5 May 2017 diff hist −458 Sarah Patterson 01080651 CP3MD No edit summary
13:4113:41, 5 May 2017 diff hist +214 Sarah Patterson 01080651 CP3MD →Question 5:-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.
13:4013:40, 5 May 2017 diff hist +223 Sarah Patterson 01080651 CP3MD →Question 4:- 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?
13:3913:39, 5 May 2017 diff hist +55 Sarah Patterson 01080651 CP3MD No edit summary
13:3513:35, 5 May 2017 diff hist +192 Sarah Patterson 01080651 CP3MD No edit summary Tag: Visual edit
13:3313:33, 5 May 2017 diff hist −2 Sarah Patterson 01080651 CP3MD No edit summary
13:3213:32, 5 May 2017 diff hist +715 Sarah Patterson 01080651 CP3MD No edit summary Tag: Visual edit
12:3612:36, 5 May 2017 diff hist +26 Sarah Patterson 01080651 CP3MD No edit summary
12:3512:35, 5 May 2017 diff hist +26 Sarah Patterson 01080651 CP3MD No edit summary
12:3412:34, 5 May 2017 diff hist +172 Sarah Patterson 01080651 CP3MD No edit summary
12:2412:24, 5 May 2017 diff hist +591 Sarah Patterson 01080651 CP3MD No edit summary
12:1412:14, 5 May 2017 diff hist 0 N File:Dynamic-KE VS. time.PNG No edit summary current

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