User contributions for Zn4318

18:0618:06, 22 May 2020 diff hist +83 N File:ZN 01510257 Q3 Figure 2.png Dynamic trajectory of H2 + H reaction slightly displaced from the transition state. current
18:0218:02, 22 May 2020 diff hist +68 N File:ZN 01510257 Q3 Figure 1.png mep trajectory for H2 + H when the r1 distance is increased by 1 pm. current
17:2617:26, 22 May 2020 diff hist +2,378 MRD:ZN 01510257 No edit summary Tag: Visual edit
17:2417:24, 22 May 2020 diff hist +74 N File:ZN 01510257 Q2 Figure 3.png Internuclear distance vs time graph for H2 + H system at transition state. current
17:1517:15, 22 May 2020 diff hist +72 N File:ZN 01510257 Q2 Figure 2.png Internuclear distance vs time plot at AB=BC=90 pm, no momenta in system. current
17:0517:05, 22 May 2020 diff hist +65 N File:ZN 01510257 Q2 Figure 1.png Inter-nuclear distance vs time plot of H2 + H system. AB+C system current
15:5815:58, 22 May 2020 diff hist +720 MRD:ZN 01510257 →Q1) 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? Tag: Visual edit
15:5215:52, 22 May 2020 diff hist +37 N File:ZN 01510257 Q1 Figure 2.png The determinant of the hessian matrix current
15:3115:31, 22 May 2020 diff hist −15 MRD:ZN 01510257 →EXERCISE 1: H + H2 system Tag: Visual edit
15:3015:30, 22 May 2020 diff hist +777 MRD:ZN 01510257 →Q10)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
15:2915:29, 22 May 2020 diff hist +12 N File:ZN 01510257 Q1 Figure 1.png Saddle point current
13:0413:04, 22 May 2020 diff hist +17 MRD:ZN 01510257 →Q10)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
12:4712:47, 22 May 2020 diff hist +1,173 MRD:ZN 01510257 →Q9)In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Explain how this could be confirmed experimentally. Tag: Visual edit
10:0810:08, 22 May 2020 diff hist +335 MRD:ZN 01510257 →Q5) Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit

21:0121:01, 21 May 2020 diff hist +44 MRD:ZN 01510257 →Q6) 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
13:2513:25, 21 May 2020 diff hist +184 MRD:ZN 01510257 →Q8) Report the activation energy for both reactions. Tag: Visual edit
12:3012:30, 21 May 2020 diff hist +1 MRD:ZN 01510257 →Q8) Report the activation energy for both reactions. Tag: Visual edit
12:0012:00, 21 May 2020 diff hist −27 MRD:ZN 01510257 →Q6) 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?
11:5811:58, 21 May 2020 diff hist +28 MRD:ZN 01510257 No edit summary Tag: Visual edit
11:5811:58, 21 May 2020 diff hist 0 File:Test2 5.png Zn4318 uploaded a new version of File:Test2 5.png current
11:5711:57, 21 May 2020 diff hist +4 N File:Test2 5.png test
11:5511:55, 21 May 2020 diff hist +1,024 MRD:ZN 01510257 No edit summary Tag: Visual edit

09:4809:48, 20 May 2020 diff hist −2 MRD:ZN 01510257 →Q10)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
09:4809:48, 20 May 2020 diff hist +2 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:4709:47, 20 May 2020 diff hist +792 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:4309:43, 20 May 2020 diff hist +944 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:3809:38, 20 May 2020 diff hist +151 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:3709:37, 20 May 2020 diff hist +56 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:3309:33, 20 May 2020 diff hist +126 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:3209:32, 20 May 2020 diff hist +57 N File:ZN 01510257 Q4 Figure 5.png Surface plot of the 5th trajectory as shown in the table. current
09:3109:31, 20 May 2020 diff hist +57 N File:ZN 01510257 Q4 Figure 4.png Surface plot of the 4th trajectory as shown in the table.
09:2909:29, 20 May 2020 diff hist +55 N File:ZN 01510257 Q4 Figure 3.png Surface plot of the 3rd trajectory stated in the table. current
09:2809:28, 20 May 2020 diff hist +42 MRD:ZN 01510257 No edit summary Tag: Visual edit
09:2609:26, 20 May 2020 diff hist +62 N File:ZN 01510257 Q4 Figure 2.png Surface plot of the seconds stated trajectory showin in table. current

21:2421:24, 19 May 2020 diff hist +1 MRD:ZN 01510257 No edit summary Tag: Visual edit
20:3520:35, 19 May 2020 diff hist −326 MRD:ZN 01510257 No edit summary Tag: Visual edit
20:3220:32, 19 May 2020 diff hist +84 N File:ZN 01510257 Q4 Figure 1.png Trajectory shown via a surface plot of the 1st set of conditions shown in the table. current
20:2820:28, 19 May 2020 diff hist +368 MRD:ZN 01510257 No edit summary Tag: Visual edit
20:1820:18, 19 May 2020 diff hist +1,382 MRD:ZN 01510257 No edit summary Tag: Visual edit
19:0319:03, 19 May 2020 diff hist +327 MRD:ZN 01510257 No edit summary Tag: Visual edit
13:0113:01, 19 May 2020 diff hist +2,252 MRD:ZN 01510257 No edit summary Tag: Visual edit
11:3211:32, 19 May 2020 diff hist +857 MRD:ZN 01510257 No edit summary Tag: Visual edit
11:1211:12, 19 May 2020 diff hist +1,117 N MRD:ZN 01510257 Created page with "MUST ANSWER ANY AND EVERY Question contour plot is the PES, with trajectory overlay-ed Skew plot shows new coordinate system designed such that force acting on trajectory is..."

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15 March 2019