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User contributions for Aja4117

Results for Aja4117 talk block log uploads logs

A user with 366 edits. Account created on 19 February 2018.

16:1316:13, 17 May 2019 diff hist +26 MRD:aja4117 →EXERCISE 2: F - H - H system Tag: Visual edit

15:2015:20, 16 May 2019 diff hist +155 MRD:aja4117 →EXERCISE 2: F - H - H system
15:1515:15, 16 May 2019 diff hist −28 MRD:aja4117 →What do you observe?
15:1415:14, 16 May 2019 diff hist −12 MRD:aja4117 →What do you observe? STILL TO DO
15:1115:11, 16 May 2019 diff hist −2 MRD:aja4117 →Locate the approximate position of the transition state.
15:1115:11, 16 May 2019 diff hist +1 MRD:aja4117 →Locate the approximate position of the transition state.
15:1015:10, 16 May 2019 diff hist 0 MRD:aja4117 →Locate the approximate position of the transition state.
15:1015:10, 16 May 2019 diff hist +122 MRD:aja4117 →Locate the approximate position of the transition state.
15:0815:08, 16 May 2019 diff hist −1 MRD:aja4117 →Locate the approximate position of the transition state.
15:0815:08, 16 May 2019 diff hist −1 MRD:aja4117 →Locate the approximate position of the transition state.
15:0815:08, 16 May 2019 diff hist −1 MRD:aja4117 →Locate the approximate position of the transition state.
15:0815:08, 16 May 2019 diff hist +10 MRD:aja4117 →EXERCISE 2: F - H - H system
15:0715:07, 16 May 2019 diff hist −254 MRD:aja4117 →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 table?
15:0715:07, 16 May 2019 diff hist 0 MRD:aja4117 →EXERCISE 2: F - H - H system
15:0615:06, 16 May 2019 diff hist +263 MRD:aja4117 →F + H2
15:0215:02, 16 May 2019 diff hist +13 MRD:aja4117 →Locate the approximate position of the transition state. Tag: Visual edit
15:0115:01, 16 May 2019 diff hist −3 MRD:aja4117 →Locate the approximate position of the transition state.
15:0015:00, 16 May 2019 diff hist +123 MRD:aja4117 →What do you observe? STILL TO DO
14:5714:57, 16 May 2019 diff hist +259 MRD:aja4117 →What do you observe? STILL TO DO Tag: Visual edit
14:5714:57, 16 May 2019 diff hist 0 N File:-2.5,5.2.png No edit summary current
14:5714:57, 16 May 2019 diff hist 0 File:-2.5, -5.0.png Aja4117 uploaded a new version of File:-2.5, -5.0.png current
14:5714:57, 16 May 2019 diff hist 0 File:-1.5, -2.5.png Aja4117 uploaded a new version of File:-1.5, -2.5.png current
14:5714:57, 16 May 2019 diff hist 0 File:-1.5, -2.0.png Aja4117 uploaded a new version of File:-1.5, -2.0.png current
14:5614:56, 16 May 2019 diff hist 0 File:-1.25, -2.5.png Aja4117 uploaded a new version of File:-1.25, -2.5.png current
14:4314:43, 16 May 2019 diff hist +4 MRD:aja4117 →EXERCISE 1: H + H2 system
14:4214:42, 16 May 2019 diff hist +23 MRD:aja4117 →EXERCISE 1: H + H2 system
14:4214:42, 16 May 2019 diff hist +8 MRD:aja4117 →EXERCISE 1: H + H2 system
14:4114:41, 16 May 2019 diff hist 0 N File:Aja4117INT for HH.png No edit summary current
14:3914:39, 16 May 2019 diff hist −110 MRD:aja4117 →EXERCISE 1: H + H2 system
14:3914:39, 16 May 2019 diff hist −2 MRD:aja4117 →EXERCISE 1: H + H2 system
14:3814:38, 16 May 2019 diff hist −9 MRD:aja4117 →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?
14:3814:38, 16 May 2019 diff hist −240 MRD:aja4117 →EXERCISE 1: H + H2 system
14:3414:34, 16 May 2019 diff hist +134 MRD:aja4117 →EXERCISE 1: H + H2 system Tag: Visual edit
14:2614:26, 16 May 2019 diff hist +73 MRD:aja4117 →EXERCISE 1: H + H2 system
14:1914:19, 16 May 2019 diff hist +80 MRD:aja4117 →EXERCISE 1: H + H2 system
14:1914:19, 16 May 2019 diff hist +114 MRD:aja4117 →EXERCISE 1: H + H2 system Tag: Visual edit
14:1714:17, 16 May 2019 diff hist +82 MRD:aja4117 No edit summary
14:1514:15, 16 May 2019 diff hist +89 MRD:aja4117 →EXERCISE 1: H + H2 system Tag: Visual edit
14:1514:15, 16 May 2019 diff hist 0 N File:Aja4117Surface Plot h + HF.png No edit summary current
14:1514:15, 16 May 2019 diff hist 0 N File:Aja4117Surface Plot f + h2.png No edit summary current
06:4506:45, 16 May 2019 diff hist +270 MRD:aja4117 →EXERCISE 2: F - H - H system Tag: Visual edit

23:0523:05, 15 May 2019 diff hist +1,147 MRD:aja4117 →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
22:3922:39, 15 May 2019 diff hist +862 MRD:aja4117 →EXERCISE 2: F - H - H system Tag: Visual edit
22:1322:13, 15 May 2019 diff hist +63 MRD:aja4117 No edit summary
22:1322:13, 15 May 2019 diff hist +1,405 MRD:aja4117 →EXERCISE 2: F - H - H syste Tag: Visual edit
22:1222:12, 15 May 2019 diff hist 0 N File:Aja4117Surface Plot FH2 momenta vs time.png No edit summary current
21:0921:09, 15 May 2019 diff hist −1 MRD:aja4117 →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

17:4717:47, 14 May 2019 diff hist +339 MRD:aja4117 No edit summary Tag: Visual edit
17:0517:05, 14 May 2019 diff hist +1,853 MRD:aja4117 No edit summary Tag: Visual edit
16:2816:28, 14 May 2019 diff hist −2 MRD:aja4117 →Trajectories from r1 = rts+δ, r2 = rts

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