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User contributions for Dz417

Results for Dz417 talk block log uploads logs

A user with 384 edits. Account created on 19 February 2018.

11:0211:02, 24 May 2019 diff hist +5 MRD:R1chie →EXERCISE 1: H + H2 system
10:3610:36, 24 May 2019 diff hist +50 MRD:R1chie →Q2: 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.

21:0321:03, 23 May 2019 diff hist +388 MRD:R1chie →Exercise 2:F - H - H system
21:0221:02, 23 May 2019 diff hist +40 MRD:R1chie →Q7: Report the activation energy for both reactions.
21:0121:01, 23 May 2019 diff hist 0 N File:Activation Graph 1.png No edit summary current
20:5520:55, 23 May 2019 diff hist +44 MRD:R1chie →Q7: Report the activation energy for both reactions.
20:5420:54, 23 May 2019 diff hist 0 N File:Activation Graph 2.png No edit summary current
20:5420:54, 23 May 2019 diff hist +20 MRD:R1chie →Q7: Report the activation energy for both reactions.
20:5320:53, 23 May 2019 diff hist +37 MRD:R1chie /* 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? Locate the approximate p...
20:5320:53, 23 May 2019 diff hist 0 N File:Internuclear distance of HF and H.PNG No edit summary current
20:5220:52, 23 May 2019 diff hist +37 MRD:R1chie /* 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? Locate the approximate p...
20:5220:52, 23 May 2019 diff hist 0 N File:Internuclear distance of F and H2.PNG No edit summary current
20:5120:51, 23 May 2019 diff hist +26 MRD:R1chie /* 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? Locate the approximate p...
20:5120:51, 23 May 2019 diff hist 0 N File:Contour graph HF and H.png No edit summary current
20:5120:51, 23 May 2019 diff hist +67 MRD:R1chie /* 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? Locate the approximate p...
20:5020:50, 23 May 2019 diff hist 0 N File:Contour graph F and H2.png No edit summary current
19:3019:30, 23 May 2019 diff hist +66 MRD:R1chie →Exercise 2:F - H - H system
19:3019:30, 23 May 2019 diff hist +14 MRD:R1chie /* 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? Locate the approximate p...
19:0719:07, 23 May 2019 diff hist +1 MRD:R1chie →Exercise 2:F - H - H system
19:0719:07, 23 May 2019 diff hist +4 MRD:R1chie →EXERCISE 1: H + H2 system
19:0719:07, 23 May 2019 diff hist +294 MRD:R1chie →Exercise 2:F - H - H system
19:0319:03, 23 May 2019 diff hist +39 MRD:R1chie →EXERCISE 1: H + H2 system
18:5918:59, 23 May 2019 diff hist 0 N File:Q4 graph5.png No edit summary current
18:5918:59, 23 May 2019 diff hist +110 MRD:R1chie →Q4:Complete the table below 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?
18:5718:57, 23 May 2019 diff hist 0 N File:Q4 graph 5.png No edit summary current
18:5718:57, 23 May 2019 diff hist 0 N File:Q4 graph4.png No edit summary current
18:5718:57, 23 May 2019 diff hist 0 N File:Q4 graph3.png No edit summary current
18:5718:57, 23 May 2019 diff hist 0 N File:Q4 graph2.png No edit summary current
18:5618:56, 23 May 2019 diff hist 0 N File:Q4 graph1.png No edit summary current
18:5318:53, 23 May 2019 diff hist +59 MRD:R1chie →Q4:Complete the table below 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?
18:5118:51, 23 May 2019 diff hist +8 MRD:R1chie →EXERCISE 1: H + H2 system
18:5118:51, 23 May 2019 diff hist +2 MRD:R1chie →Q3:Comment on how the mep and the trajectory you just calculated differ.
18:5118:51, 23 May 2019 diff hist +110 MRD:R1chie →Q3:Comment on how the mep and the trajectory you just calculated differ.
18:4918:49, 23 May 2019 diff hist +5 MRD:R1chie →EXERCISE 1: H + H2 system
18:4918:49, 23 May 2019 diff hist +16 MRD:R1chie →Q2: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.
18:4718:47, 23 May 2019 diff hist −3 MRD:R1chie →EXERCISE 1: H + H2 system
18:4718:47, 23 May 2019 diff hist +7 MRD:R1chie →EXERCISE 1: H + H2 system
18:4618:46, 23 May 2019 diff hist −5 MRD:R1chie →Q2: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.
18:4618:46, 23 May 2019 diff hist +43 MRD:R1chie →EXERCISE 1: H + H2 system
18:4418:44, 23 May 2019 diff hist +3 MRD:R1chie →Q3:Comment on how the mep and the trajectory you just calculated differ.
18:4418:44, 23 May 2019 diff hist 0 MRD:R1chie →Q2: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.
18:4318:43, 23 May 2019 diff hist +67 MRD:R1chie →Q2: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.
18:3818:38, 23 May 2019 diff hist +2 MRD:R1chie →Q2: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.
18:3818:38, 23 May 2019 diff hist 0 N File:Dz417 contour plot of internuclear distance 2.PNG No edit summary current
18:3818:38, 23 May 2019 diff hist −2 MRD:R1chie →Q2: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.
18:3718:37, 23 May 2019 diff hist 0 File:Figure 5 internuclear distance.png Dz417 uploaded a new version of File:Figure 5 internuclear distance.png current
18:3618:36, 23 May 2019 diff hist +2 MRD:R1chie →Q2: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.
18:3418:34, 23 May 2019 diff hist +8 MRD:R1chie →Q2: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.
18:3418:34, 23 May 2019 diff hist +33 MRD:R1chie →Q3:Comment on how the mep and the trajectory you just calculated differ.
18:3318:33, 23 May 2019 diff hist 0 N File:Surface Plot2 dz417.png No edit summary current

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