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Results for Sg3415 talk block log uploads logs

A user with 318 edits. Account created on 14 March 2016.

13:3313:33, 5 May 2017 diff hist +33 MRD:sg3415 →Question 6: 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 position of the transition state.
13:3313:33, 5 May 2017 diff hist +18 MRD:sg3415 →Question 6: 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 position of the transition state.
13:3113:31, 5 May 2017 diff hist −53 MRD:sg3415 →Question 6: 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 position of the transition state.
13:1813:18, 5 May 2017 diff hist −215 MRD:sg3415 →Question 5: 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?
13:1513:15, 5 May 2017 diff hist +182 MRD:sg3415 No edit summary
13:1013:10, 5 May 2017 diff hist +237 MRD:sg3415 →Question 5: 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?

13:4313:43, 3 May 2017 diff hist −156 MRD:sg3415 →Question 6: 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 position of the transition state.
13:3513:35, 3 May 2017 diff hist +154 MRD:sg3415 No edit summary
13:2613:26, 3 May 2017 diff hist +154 MRD:sg3415 →Question 6: 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 position of the transition state.
13:2413:24, 3 May 2017 diff hist +12 MRD:sg3415 →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 position of the transition state.
13:2413:24, 3 May 2017 diff hist +672 MRD:sg3415 →Question 5: 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?
13:0813:08, 3 May 2017 diff hist +1,019 MRD:sg3415 →Question 4: Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
12:2612:26, 3 May 2017 diff hist +2,269 MRD:sg3415 →Question 4: Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
12:1212:12, 3 May 2017 diff hist 0 N File:Sg3415(13).png No edit summary current
12:1212:12, 3 May 2017 diff hist 0 N File:Sg3415(12).png No edit summary current
12:1212:12, 3 May 2017 diff hist 0 N File:Sg3415(11).png No edit summary current
12:1212:12, 3 May 2017 diff hist 0 N File:Sg3415(10).png No edit summary current
12:1212:12, 3 May 2017 diff hist 0 N File:Sg3415(9).png No edit summary current
12:1112:11, 3 May 2017 diff hist +363 MRD:sg3415 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
11:5911:59, 3 May 2017 diff hist +131 MRD:sg3415 No edit summary

16:0716:07, 2 May 2017 diff hist +215 MRD:sg3415 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
16:0216:02, 2 May 2017 diff hist +291 MRD:sg3415 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
15:5715:57, 2 May 2017 diff hist +973 MRD:sg3415 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
15:4915:49, 2 May 2017 diff hist 0 N File:Sg3415(8).png No edit summary current
15:4815:48, 2 May 2017 diff hist 0 File:Sg3415(7).png Sg3415 uploaded a new version of File:Sg3415(7).png current
15:4815:48, 2 May 2017 diff hist 0 N File:Sg3415(7).png No edit summary
15:4815:48, 2 May 2017 diff hist +109 MRD:sg3415 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
15:2915:29, 2 May 2017 diff hist +1,189 MRD:sg3415 →Molecular Reaction Dynamics
15:1115:11, 2 May 2017 diff hist 0 N File:Sg3415(6).png No edit summary current
15:1115:11, 2 May 2017 diff hist 0 N File:Sg3415(5).png No edit summary current
15:0215:02, 2 May 2017 diff hist +32 MRD:sg3415 →Question 2: Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.
15:0115:01, 2 May 2017 diff hist +12 MRD:sg3415 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.
14:5914:59, 2 May 2017 diff hist +12 MRD:sg3415 →What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential energy surface.
14:5914:59, 2 May 2017 diff hist +28 MRD:sg3415 →Molecular Reaction Dynamics
14:5314:53, 2 May 2017 diff hist +249 MRD:sg3415 →Molecular Reaction Dynamics
14:5014:50, 2 May 2017 diff hist 0 N File:Sg3415(4).png No edit summary current
14:4914:49, 2 May 2017 diff hist +549 MRD:sg3415 →Molecular Reaction Dynamics
14:4014:40, 2 May 2017 diff hist 0 N File:Sg3415(3).png No edit summary current
14:4014:40, 2 May 2017 diff hist +393 MRD:sg3415 →Molecular Reaction Dynamics
14:3714:37, 2 May 2017 diff hist 0 N File:Sg3415(2).png No edit summary current
14:3614:36, 2 May 2017 diff hist +75 MRD:sg3415 →Molecular Reaction Dynamics
14:3314:33, 2 May 2017 diff hist +6 MRD:sg3415 →What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential energy surface.
14:3214:32, 2 May 2017 diff hist +24 MRD:sg3415 →Molecular Reaction Dynamics
14:3114:31, 2 May 2017 diff hist 0 N File:Sg3415(1).png No edit summary current
13:5413:54, 2 May 2017 diff hist +805 N MRD:sg3415 Created page with "==Molecular Reaction Dynamics== ===What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how min..."

19:2519:25, 17 March 2016 diff hist +12 Rep:MOD:SG3415 →Summary
19:2419:24, 17 March 2016 diff hist +90 Rep:MOD:SG3415 →Summary
19:1519:15, 17 March 2016 diff hist +120 Rep:MOD:SG3415 →NH3 molecule
19:0919:09, 17 March 2016 diff hist +406 Rep:MOD:SG3415 →Summary
16:5816:58, 17 March 2016 diff hist −1 Rep:MOD:SG3415 No edit summary

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