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User contributions for Sg2317

Results for Sg2317 talk block log uploads logs

A user with 351 edits. Account created on 26 February 2018.

11:5511:55, 21 May 2019 diff hist +10 180519hf →BH3 optimisation: (3-21G)
11:5411:54, 21 May 2019 diff hist −5 180519hf →Jmol image of optimised BH3
11:4911:49, 21 May 2019 diff hist +3 180519hf No edit summary
10:5510:55, 21 May 2019 diff hist +219 180519hf →BH3 optimisation: 6-31G(d,p)
10:3710:37, 21 May 2019 diff hist +21 180519hf →BH3 frequency and MOs summary
10:3710:37, 21 May 2019 diff hist +1 180519hf →BH3 frequency and MOs summary
10:3610:36, 21 May 2019 diff hist +1,277 180519hf →BH3 frequency and MOs summary
10:3110:31, 21 May 2019 diff hist 0 N File:Sg2317bh3freqopt.png No edit summary current
10:3110:31, 21 May 2019 diff hist +3 180519hf →BH3 frequency and MOs summary
10:2410:24, 21 May 2019 diff hist 0 N File:Sg2317bh3d3h.png No edit summary current
10:2310:23, 21 May 2019 diff hist +62 180519hf →BH3 optimisation: 6-31G(d,p)

15:2315:23, 20 May 2019 diff hist 0 N File:Sg2317bh3freq.png No edit summary current
15:2315:23, 20 May 2019 diff hist +100 180519hf No edit summary
15:0415:04, 20 May 2019 diff hist −1 180519hf No edit summary
15:0415:04, 20 May 2019 diff hist 0 N File:Sg2317bh3bettersummary.png No edit summary current
15:0315:03, 20 May 2019 diff hist +424 180519hf No edit summary
15:0215:02, 20 May 2019 diff hist +43 180519hf No edit summary
14:5614:56, 20 May 2019 diff hist 0 180519hf →BH3 optimisation
14:5514:55, 20 May 2019 diff hist 0 N File:Sg2317bh3summary.png No edit summary current
14:5514:55, 20 May 2019 diff hist −66 180519hf →BH3 optimisation
14:5514:55, 20 May 2019 diff hist −389 180519hf →BH3 optimisation
14:3314:33, 20 May 2019 diff hist +381 180519hf →BH3 optimisation
14:2814:28, 20 May 2019 diff hist +455 180519hf →Optimising BH3
14:2114:21, 20 May 2019 diff hist +31 180519hf No edit summary
14:1914:19, 20 May 2019 diff hist +26 N 180519hf Created page with "==What is the file type?=="

16:3016:30, 3 May 2019 diff hist −162 Sg2317 →Polyani's rules
16:2416:24, 3 May 2019 diff hist +2 Sg2317 →Report the activation energy for both reactions
16:2216:22, 3 May 2019 diff hist +44 Sg2317 →Report the activation energy for both reactions
16:2016:20, 3 May 2019 diff hist +43 Sg2317 No edit summary
15:1915:19, 3 May 2019 diff hist +162 Sg2317 No edit summary
15:0215:02, 3 May 2019 diff hist +1 Sg2317 →Complete the table 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?
14:5114:51, 3 May 2019 diff hist +340 Sg2317 →Exercise 2
14:4614:46, 3 May 2019 diff hist +448 Sg2317 →Exercise 2
14:3914:39, 3 May 2019 diff hist 0 File:TS.png Sg2317 uploaded a new version of File:TS.png current
14:3814:38, 3 May 2019 diff hist +53 Sg2317 No edit summary
14:3814:38, 3 May 2019 diff hist +459 Sg2317 →Exercise 2
14:0614:06, 3 May 2019 diff hist 0 Sg2317 →By inspecting the potential energy surfaces, classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic).
11:0011:00, 3 May 2019 diff hist +66 Sg2317 →Exercise 2
10:5910:59, 3 May 2019 diff hist −17 Sg2317 →How does this relate to the bond strength of the chemical species involved? Locate the approximate position of the transition state
10:5910:59, 3 May 2019 diff hist 0 Sg2317 →By inspecting the potential energy surfaces, classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic).
10:5810:58, 3 May 2019 diff hist +1 Sg2317 →By inspecting the potential energy surfaces, classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic).
10:5810:58, 3 May 2019 diff hist +613 Sg2317 /* 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? Locate the approximate posit...
10:2910:29, 3 May 2019 diff hist −1 Sg2317 →Exercise 2
10:2810:28, 3 May 2019 diff hist +301 Sg2317 No edit summary
10:2710:27, 3 May 2019 diff hist −285 Sg2317 →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?
10:2710:27, 3 May 2019 diff hist −12 Sg2317 →Simran's big adventure

15:5315:53, 30 April 2019 diff hist +1,034 Sg2317 →Simran's big adventure

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