User contributions for Mm10114

18:5918:59, 31 May 2018 diff hist +239 MRD:lh1316 →EXERCISE 2: F - H - H system
18:5618:56, 31 May 2018 diff hist +163 MRD:lh1316 →EXERCISE 1: H + H2 system
18:2118:21, 31 May 2018 diff hist +435 N Talk:MDR YF-1716 Created page with "~~~~ Your report is not bad. However, there are some shortcomings. You did put references at the end, however it is a custom to annotate the text, to..." current
18:1918:19, 31 May 2018 diff hist +578 MDR YF-1716 →F-H-H system current
18:1218:12, 31 May 2018 diff hist +683 MDR YF-1716 →H + H 2 molecule
18:0318:03, 31 May 2018 diff hist +154 N Talk:MRD:mfc16 Created page with "~~~~ Overall a good report. Please see inline comments." current
18:0318:03, 31 May 2018 diff hist +526 MRD:mfc16 →Exercise 2: F-H-H current
17:3517:35, 31 May 2018 diff hist +1,135 MRD:mfc16 →Exercise 1: H2+H system

15:2115:21, 29 May 2018 diff hist +306 N Talk:MRD:HJW116 Created page with "~~~~ Your report is sufficient and mostly correct. However, quite regularly you lack necessary plots to support your claims. I've put inline comments..." current
15:1915:19, 29 May 2018 diff hist +229 MRD:HJW116 →Exercise 2 current
15:1815:18, 29 May 2018 diff hist +390 MRD:HJW116 →Transition state theory
15:1515:15, 29 May 2018 diff hist +273 MRD:HJW116 →Reactive and Unreactive Trajectories
15:1315:13, 29 May 2018 diff hist +325 MRD:HJW116 →MEP and Dynamic Calculations
15:1115:11, 29 May 2018 diff hist +281 MRD:HJW116 →Locating the Transition State
15:0715:07, 29 May 2018 diff hist +917 MRD:HJW116 →Exercise 1
14:5914:59, 29 May 2018 diff hist +514 N Talk:MRD:WXY0119 Created page with "~~~~ Your report is very very good. You don't forget to cite your sources, your discussions are thorough showing you have a in-depth understanding wha..." current
14:5514:55, 29 May 2018 diff hist +244 MRD:WXY0119 →Transition State Approximation current
14:5414:54, 29 May 2018 diff hist +261 MRD:WXY0119 →Transition State Theory
14:5214:52, 29 May 2018 diff hist +223 MRD:WXY0119 →Reactive and unreactive trajectories
14:5014:50, 29 May 2018 diff hist +224 MRD:WXY0119 →Calculating and comparing the reaction path and trajectory
14:4814:48, 29 May 2018 diff hist +323 MRD:WXY0119 →Locating the Transition State
14:4514:45, 29 May 2018 diff hist +121 MRD:WXY0119 →Dynamics from the transition state region

22:4622:46, 28 May 2018 diff hist +333 N Talk:MRD:zy1416 Created page with "~~~~ Your wiki report is good, but could've been slightly better. Some questions do require some more throughout analysis and in-depth view. Hopefully..." current
22:4422:44, 28 May 2018 diff hist +212 MRD:zy1416 →Reaction Dynamics current
22:4122:41, 28 May 2018 diff hist +314 MRD:zy1416 →PES inspection
22:3922:39, 28 May 2018 diff hist +1,901 MRD:zy1416 →EXERCISE 1: H + H2 system
22:2522:25, 28 May 2018 diff hist +392 N Talk:MRD:gmg216 Created page with "~~~~ Your report is overall good, but could've been better. Your observations are mostly correct and most of the answers are thorough. However, you ca..." current
22:2322:23, 28 May 2018 diff hist +283 MRD:gmg216 →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
22:2022:20, 28 May 2018 diff hist +263 MRD:gmg216 →Report the activation energy for both reactions.
22:1822:18, 28 May 2018 diff hist +1,456 MRD:gmg216 →Dynamics from the transition state region
21:3821:38, 28 May 2018 diff hist +241 N Talk:MRD:mmo116 Created page with "~~~~ Very good and thorough report. Very little to add, two inline comments to parts that would need further clarifying. Otherwise, well done." current
21:3621:36, 28 May 2018 diff hist +144 MRD:mmo116 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
21:2821:28, 28 May 2018 diff hist +253 N Talk:MRD:cai15 Created page with "~~~~ Overall very good report. Some minor comments where you could've done some more thorough explanation. Never forget about references when appropri..." current
21:2621:26, 28 May 2018 diff hist +96 MRD:cai15 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally? current
21:2421:24, 28 May 2018 diff hist +225 MRD:cai15 →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.
21:2121:21, 28 May 2018 diff hist +120 MRD:cai15 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
21:2021:20, 28 May 2018 diff hist +258 MRD:cai15 →Locate the approximate position of the transition state.
21:1921:19, 28 May 2018 diff hist +200 MRD:cai15 →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?
21:1821:18, 28 May 2018 diff hist +338 MRD:cai15 →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?
21:1421:14, 28 May 2018 diff hist +138 MRD:cai15 /* 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...
20:5720:57, 28 May 2018 diff hist +482 N Talk:MRD:SS6416 Created page with "~~~~ Your report is almost very good. The second exercise is excellent, so I didn't put any inline comments there. However, the first exercise is some..." current
20:4920:49, 28 May 2018 diff hist +1,647 MRD:SS6416 →Exercise 1: H - H - H system current
20:3520:35, 28 May 2018 diff hist +544 N Talk:MRD:SW1816 Created page with "~~~~ I really liked your report and its style. Easy to follow and clear: question -> answer. You've provided all the necessary plots (and the screensh..." current

17:0917:09, 25 May 2018 diff hist +447 MRD:mmo116 →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.
17:0317:03, 25 May 2018 diff hist +80 Talk:Title:MRD:01199241 No edit summary current
17:0317:03, 25 May 2018 diff hist +193 N Talk:Title:MRD:01199241 Created page with " Your report is very good and easy to follow. Your discussions are usually thorough and supported by evidence (plots). See my inline comments for some..."
17:0017:00, 25 May 2018 diff hist +186 Title:MRD:01199241 →H-F-H Excercise 2 current
16:5716:57, 25 May 2018 diff hist +238 Title:MRD:01199241 →H-H-H Excercise 1
16:5016:50, 25 May 2018 diff hist +142 Title:MRD:01199241 →H-H-H Excercise 1
16:4816:48, 25 May 2018 diff hist +258 Title:MRD:01199241 →Molecular reaction dynamics lab

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25 May 2018