Jump to content

User contributions for Ki514

Results for Ki514 talk block log uploads logs

A user with 574 edits. Account created on 29 September 2018.

22:0722:07, 19 May 2019 diff hist +651 MRD:KI5432 No edit summary
21:3721:37, 19 May 2019 diff hist +832 MRD:KI5432 →{{fontcolor1|blue|Comment on how the mep and the trajectory you just calculated differ.}}
21:1821:18, 19 May 2019 diff hist +637 MRD:KI5432 No edit summary
21:1521:15, 19 May 2019 diff hist +427 MRD:KI5432 No edit summary
21:1021:10, 19 May 2019 diff hist +648 MRD:KI5432 No edit summary
20:0120:01, 19 May 2019 diff hist +153 MRD:KI5432 →Trajectories from r1 = r2: locating the ts
19:5619:56, 19 May 2019 diff hist −703 MRD:KI5432 No edit summary
19:5419:54, 19 May 2019 diff hist +2 MRD:KI5432 →{{fontcolor1|blue|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?}}
19:1519:15, 19 May 2019 diff hist −91 MRD:KI5432 /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”. {{fontcolor1|blue|In light of the fact that energy is conserved, discuss the mechanism of release o...
19:1319:13, 19 May 2019 diff hist +4,302 MRD:KI5432 /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”. {{fontcolor1|blue|In light of the fact that energy is conserved, discuss the mechanism of release o...
16:5016:50, 19 May 2019 diff hist 0 MRD:KI5432 →{{fontcolor1|blue|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?}}
16:4916:49, 19 May 2019 diff hist +541 MRD:KI5432 →{{fontcolor1|blue|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?}}
16:4116:41, 19 May 2019 diff hist 0 File:Kiraforce22.PNG Ki514 uploaded a new version of File:Kiraforce22.PNG current
16:4016:40, 19 May 2019 diff hist 0 N File:Kiraforce22.PNG No edit summary
16:4016:40, 19 May 2019 diff hist 0 N File:H2KIRA22.PNG No edit summary current
16:3916:39, 19 May 2019 diff hist 0 File:Kiradiagram22.PNG Ki514 uploaded a new version of File:Kiradiagram22.PNG current
16:3816:38, 19 May 2019 diff hist 0 N File:Kiradiagram22.PNG No edit summary
16:3716:37, 19 May 2019 diff hist +70 MRD:KI5432 →{{fontcolor1|blue|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?}}
16:2816:28, 19 May 2019 diff hist 0 N File:Kiradiagram2.PNG No edit summary current
16:2816:28, 19 May 2019 diff hist +737 MRD:KI5432 →{{fontcolor1|blue|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?}}
16:1516:15, 19 May 2019 diff hist 0 N File:FH2KIRA22.PNG No edit summary current
16:0916:09, 19 May 2019 diff hist −2 MRD:KI5432 →{{fontcolor1|blue|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?}}
16:0416:04, 19 May 2019 diff hist +28 MRD:KI5432 No edit summary
15:2415:24, 19 May 2019 diff hist +445 MRD:KI5432 →{{fontcolor1|blue|Comment on how the mep and the trajectory you just calculated differ.}}
15:0815:08, 19 May 2019 diff hist +4 MRD:KI5432 No edit summary
14:4414:44, 19 May 2019 diff hist +225 MRD:KI5432 /* {{fontcolor1|blue|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 t...
14:4314:43, 19 May 2019 diff hist 0 MRD:KI5432 →{{fontcolor1|blue|Comment on how the mep and the trajectory you just calculated differ.}}
13:2813:28, 19 May 2019 diff hist +605 MRD:KI5432 →Trajectories from r1 = rts+δ, r2 = rts
13:0013:00, 19 May 2019 diff hist +128 MRD:KI5432 →Trajectories from r1 = rts+δ, r2 = rts
12:2412:24, 19 May 2019 diff hist +234 MRD:KI5432 No edit summary
12:1312:13, 19 May 2019 diff hist +2,699 MRD:KI5432 →Trajectories from r1 = rts+δ, r2 = rts
02:1902:19, 19 May 2019 diff hist −341 MRD:KI5432 →Reactive and unreactive trajectories
02:0402:04, 19 May 2019 diff hist +616 MRD:KI5432 No edit summary
00:1800:18, 19 May 2019 diff hist +240 MRD:KI5432 No edit summary
00:1300:13, 19 May 2019 diff hist +732 MRD:KI5432 No edit summary

23:0023:00, 18 May 2019 diff hist +897 MRD:KI5432 No edit summary
22:1722:17, 18 May 2019 diff hist −61 MRD:KI5432 →EXERCISE 2: F - H - H system
15:1015:10, 18 May 2019 diff hist −53 Rep:Mod:KIR9876 →Analysis of third MOː
15:0915:09, 18 May 2019 diff hist +13 Rep:Mod:KIR9876 →Analysis of second MOː
15:0815:08, 18 May 2019 diff hist +13 Rep:Mod:KIR9876 →Analysis of first MOː
15:0815:08, 18 May 2019 diff hist +9 Rep:Mod:KIR9876 →Analysis of third MOː
15:0615:06, 18 May 2019 diff hist +18 Rep:Mod:KIR9876 →Analysis of third MOː
15:0515:05, 18 May 2019 diff hist +571 Rep:Mod:KIR9876 →Analysis of third MOː
15:0315:03, 18 May 2019 diff hist +601 Rep:Mod:KIR9876 →Analysis of second MOː
14:5814:58, 18 May 2019 diff hist +477 Rep:Mod:KIR9876 →Analysis of first MOː
14:5214:52, 18 May 2019 diff hist +110 Rep:Mod:KIR9876 →Determine the dissociation energy for the lowest energy conformer into 2AlCl2Br:
14:5114:51, 18 May 2019 diff hist −46 Rep:Mod:KIR9876 →Energies:
14:4914:49, 18 May 2019 diff hist +52 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
14:4714:47, 18 May 2019 diff hist −4 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
14:4514:45, 18 May 2019 diff hist −56 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Ki514"