User contributions for Yc14518
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22 May 2020
- 21:4721:47, 22 May 2020 diff hist +18 MRD:01503585 yulong No edit summary Tag: Visual edit
- 21:3721:37, 22 May 2020 diff hist +37 MRD:01503585 yulong →Question 2: 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. Tag: Visual edit
- 21:1721:17, 22 May 2020 diff hist +102 MRD:01503585 yulong →Question 2: 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. Tag: Visual edit
- 21:1321:13, 22 May 2020 diff hist 0 N File:H-H-H transition state point.png 01503585 No edit summary current
- 21:1321:13, 22 May 2020 diff hist 0 MRD:01503585 yulong →Question 3: Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
- 20:3920:39, 22 May 2020 diff hist +1,040 MRD:01503585 yulong →For reaction H + HF Tag: Visual edit
- 19:5119:51, 22 May 2020 diff hist +1,022 MRD:01503585 yulong →For reaction F + H2 Tag: Visual edit
- 19:3819:38, 22 May 2020 diff hist 0 N File:Question nine last.png No edit summary current
- 19:1719:17, 22 May 2020 diff hist +385 MRD:01503585 yulong →For reaction F + H2 Tag: Visual edit
- 19:0019:00, 22 May 2020 diff hist +721 MRD:01503585 yulong →For reaction F + H2 Tag: Visual edit
- 18:5018:50, 22 May 2020 diff hist 0 N File:Sixth combination.png 01503585 No edit summary current
- 18:3818:38, 22 May 2020 diff hist +117 MRD:01503585 yulong →For reaction F + H2 Tag: Visual edit
- 18:3818:38, 22 May 2020 diff hist 0 N File:Fifth combination.png 01503585 No edit summary current
- 18:3618:36, 22 May 2020 diff hist 0 N File:Fourth combination.png 01503585 No edit summary current
- 18:3618:36, 22 May 2020 diff hist +876 MRD:01503585 yulong →Question 8: Report the activation energy for both reactions.kJ/mol Tag: Visual edit
- 18:3418:34, 22 May 2020 diff hist 0 N File:Third combination.png 01503585 No edit summary current
- 18:3218:32, 22 May 2020 diff hist 0 N File:Second combination.png 01503585 No edit summary current
- 18:2318:23, 22 May 2020 diff hist 0 N File:First combination.png 01503585 No edit summary current
- 18:2018:20, 22 May 2020 diff hist 0 N File:1-6.1-01503585 No edit summary current
- 18:1918:19, 22 May 2020 diff hist 0 File:-1 6.1.png 01503585 Yc14518 uploaded a new version of File:-1 6.1.png 01503585 current
- 18:1618:16, 22 May 2020 diff hist 0 File:-1 6.1.png 01503585 Yc14518 uploaded a new version of File:-1 6.1.png 01503585
- 18:1518:15, 22 May 2020 diff hist 0 N File:-1 6.1.png No edit summary current
- 18:1118:11, 22 May 2020 diff hist 0 File:-1 6.1.png 01503585 Yc14518 uploaded a new version of File:-1 6.1.png 01503585
- 17:3617:36, 22 May 2020 diff hist 0 File:-1 6.1.png 01503585 Yc14518 uploaded a new version of File:-1 6.1.png 01503585
- 17:3317:33, 22 May 2020 diff hist 0 N File:-1 6.1.png 01503585 No edit summary
- 16:3816:38, 22 May 2020 diff hist +166 MRD:01503585 yulong →Question 8: Report the activation energy for both reactions.kJ/mol Tag: Visual edit
- 16:1316:13, 22 May 2020 diff hist +674 MRD:01503585 yulong →Question 7: Locate the approximate position of the transition state. Tag: Visual edit
- 15:5115:51, 22 May 2020 diff hist +151 MRD:01503585 yulong →Question 7: Locate the approximate position of the transition state. Tag: Visual edit
- 15:4915:49, 22 May 2020 diff hist +414 MRD:01503585 yulong →Question 6: 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
- 15:4115:41, 22 May 2020 diff hist 0 N File:F-H-H D V T.png No edit summary current
- 15:3915:39, 22 May 2020 diff hist 0 N File:F-H-H transition state point.png 01503585 No edit summary current
- 15:2915:29, 22 May 2020 diff hist +109 MRD:01503585 yulong →Question 6: 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
- 15:2715:27, 22 May 2020 diff hist +415 MRD:01503585 yulong →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 15:2115:21, 22 May 2020 diff hist +5 MRD:01503585 yulong →EXERCISE 2: F - H - H system Tag: Visual edit
- 15:1515:15, 22 May 2020 diff hist 0 File:F+H2 reaction.png 01503585 Yc14518 uploaded a new version of File:F+H2 reaction.png 01503585 current
- 14:2114:21, 22 May 2020 diff hist 0 N File:F+H2 reaction.png 01503585 No edit summary
- 13:5813:58, 22 May 2020 diff hist +347 MRD:01503585 yulong →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 13:1513:15, 22 May 2020 diff hist +540 MRD:01503585 yulong →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 13:0713:07, 22 May 2020 diff hist +686 MRD:01503585 yulong No edit summary Tag: Visual edit
- 11:4511:45, 22 May 2020 diff hist +223 MRD:01503585 yulong →Question 4: 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 th Tag: Visual edit
- 11:3711:37, 22 May 2020 diff hist 0 N File:Reactive group 5.png 01503585 No edit summary current
- 11:3111:31, 22 May 2020 diff hist +423 MRD:01503585 yulong →Question 4: 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 th Tag: Visual edit
- 11:2911:29, 22 May 2020 diff hist 0 N File:Reactive group 4.png 01503585 No edit summary current
- 11:2811:28, 22 May 2020 diff hist 0 N File:Reactive group 3.png 01503585 No edit summary current
- 11:1011:10, 22 May 2020 diff hist +309 MRD:01503585 yulong →Question 4: 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 th Tag: Visual edit
- 11:0611:06, 22 May 2020 diff hist 0 N File:Reactive group 2.png 01503585 No edit summary current
- 11:0611:06, 22 May 2020 diff hist +568 MRD:01503585 yulong →Question 4: 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 th Tag: Visual edit
- 11:0011:00, 22 May 2020 diff hist 0 File:Reactive group 1.png 01503585 Yc14518 uploaded a new version of File:Reactive group 1.png 01503585 current
- 10:5710:57, 22 May 2020 diff hist +406 MRD:01503585 yulong →Question 4: 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 th Tag: Visual edit
- 10:5210:52, 22 May 2020 diff hist 0 N File:Reactive group 1.png 01503585 No edit summary