User contributions for Ak7317
14 May 2019
- 17:2017:20, 14 May 2019 diff hist +86 Rep:Mod:inorganiclab01331511 →BH3
- 17:1417:14, 14 May 2019 diff hist 0 N File:Ak01331511 bh3 opt summary table.PNG No edit summary
- 17:1317:13, 14 May 2019 diff hist −57 Rep:Mod:inorganiclab01331511 →Second Year Inorganic Lab Tag: Visual edit
- 17:0517:05, 14 May 2019 diff hist +5 Rep:Mod:inorganiclab01331511 →EX3 Section
- 13:3213:32, 14 May 2019 diff hist +106 Rep:Mod:inorganiclab01331511 →Second Year Inorganic Lab Tag: Visual edit
- 13:2913:29, 14 May 2019 diff hist +27 N Rep:Mod:inorganiclab01331511 Created page with "=Second Year Inorganic Lab="
3 May 2019
- 15:5115:51, 3 May 2019 diff hist −2 User:Ak7317 →Locate the approximate position of the transition state.
- 15:5115:51, 3 May 2019 diff hist +144 User:Ak7317 →Locate the approximate position of the transition state.
- 15:5015:50, 3 May 2019 diff hist 0 N File:Ak 01331511 transition state estimate.png No edit summary current
- 15:4915:49, 3 May 2019 diff hist −1 User:Ak7317 →Report the activation energy for both reactions.
- 15:4915:49, 3 May 2019 diff hist 0 User:Ak7317 →Report the activation energy for both reactions.
- 15:4915:49, 3 May 2019 diff hist +59 User:Ak7317 →References Tag: Visual edit
- 15:4215:42, 3 May 2019 diff hist +171 User:Ak7317 →Report the activation energy for both reactions.
- 15:4115:41, 3 May 2019 diff hist 0 N File:Ak01331511 activation exo .png No edit summary current
- 15:4015:40, 3 May 2019 diff hist 0 N File:Ak 01331511 exo activation.png No edit summary current
- 15:3815:38, 3 May 2019 diff hist +1,219 User:Ak7317 No edit summary Tag: Visual edit
- 10:2910:29, 3 May 2019 diff hist +869 User:Ak7317 →Report the activation energy for both reactions. Tag: Visual edit
- 09:2909:29, 3 May 2019 diff hist +1,306 User:Ak7317 →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 the tableʔ Tag: Visual edit
- 09:1509:15, 3 May 2019 diff hist −486 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ Tag: Visual edit
- 09:1409:14, 3 May 2019 diff hist +3 User:Ak7317 →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.
- 09:1309:13, 3 May 2019 diff hist 0 N File:Ak01331511 substitution graph proper.png No edit summary current
- 09:1109:11, 3 May 2019 diff hist 0 File:Ak01331511 0907 internuclear dist.png Ak7317 uploaded a new version of File:Ak01331511 0907 internuclear dist.png current
- 09:1009:10, 3 May 2019 diff hist 0 File:Ak01331511 0907 internuclear dist.png Ak7317 uploaded a new version of File:Ak01331511 0907 internuclear dist.png
- 09:0909:09, 3 May 2019 diff hist 0 File:Ak01331511 0907 internuclear dist.png Ak7317 uploaded a new version of File:Ak01331511 0907 internuclear dist.png
- 09:0709:07, 3 May 2019 diff hist 0 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ Tag: Visual edit
- 09:0709:07, 3 May 2019 diff hist 0 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ
- 09:0609:06, 3 May 2019 diff hist −79 User:Ak7317 →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
- 09:0609:06, 3 May 2019 diff hist 0 User:Ak7317 →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.
- 09:0609:06, 3 May 2019 diff hist −26 User:Ak7317 →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.
- 09:0109:01, 3 May 2019 diff hist +1 User:Ak7317 →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
- 09:0009:00, 3 May 2019 diff hist +234 User:Ak7317 →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.
2 May 2019
- 14:4814:48, 2 May 2019 diff hist +40 User:Ak7317 →Locate the approximate position of the transition state. Tag: Visual edit
- 13:1413:14, 2 May 2019 diff hist −2 User:Ak7317 →Locate the approximate position of the transition state. Tag: Visual edit
- 12:4612:46, 2 May 2019 diff hist +167 User:Ak7317 →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 involvedʔ Tag: Visual edit
- 12:1512:15, 2 May 2019 diff hist +100 User:Ak7317 →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 involvedʔ Tag: Visual edit
1 May 2019
- 23:1623:16, 1 May 2019 diff hist +538 User:Ak7317 →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 valuesʔ Tag: Visual edit
- 22:4422:44, 1 May 2019 diff hist +678 User:Ak7317 →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 valuesʔ Tag: Visual edit
- 10:2810:28, 1 May 2019 diff hist +359 User:Ak7317 →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 valuesʔ Tag: Visual edit
- 10:0010:00, 1 May 2019 diff hist +188 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ
- 09:5909:59, 1 May 2019 diff hist 0 N File:Ak01331511 dvssteps MEP .png No edit summary current
- 09:5809:58, 1 May 2019 diff hist +1 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ Tag: Visual edit
- 09:5809:58, 1 May 2019 diff hist +17 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ Tag: Visual edit
- 09:5709:57, 1 May 2019 diff hist 0 N File:Ak 01331511 dvstime dynamic plot.png No edit summary current
- 09:5409:54, 1 May 2019 diff hist +1,048 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ Tag: Visual edit
- 08:5308:53, 1 May 2019 diff hist +753 User:Ak7317 →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 valuesʔ
30 April 2019
- 22:5322:53, 30 April 2019 diff hist +462 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ
- 22:5022:50, 30 April 2019 diff hist 0 File:Ak01331511 0907 table.png Ak7317 uploaded a new version of File:Ak01331511 0907 table.png current
- 22:4822:48, 30 April 2019 diff hist +403 User:Ak7317 →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.
- 22:4722:47, 30 April 2019 diff hist 0 File:Ak01331511 0907 table.png Ak7317 uploaded a new version of File:Ak01331511 0907 table.png
- 22:4522:45, 30 April 2019 diff hist 0 N File:Ak01331511 0907 table.png No edit summary
