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User contributions for Fdp18

Results for Fdp18 talk block log uploads logs

A user with 555 edits. Account created on 6 February 2019.

08:5108:51, 24 May 2020 diff hist +156 MRD:APP5718 →F-H-H system
08:5108:51, 24 May 2020 diff hist +248 MRD:APP5718 →F-H-H system
08:4908:49, 24 May 2020 diff hist +487 MRD:APP5718 →F-H-H system
08:4408:44, 24 May 2020 diff hist +550 MRD:APP5718 →Comparison with transition state theory (TST)
08:3808:38, 24 May 2020 diff hist +371 MRD:APP5718 →Reactive and Unreactive trajectories
08:3408:34, 24 May 2020 diff hist +181 MRD:APP5718 →Calculating the reaction path
08:2408:24, 24 May 2020 diff hist +216 MRD:APP5718 →H+H2 system
08:2308:23, 24 May 2020 diff hist +115 MRD:APP5718 →Locating the position of the Transition state (rts)
08:2308:23, 24 May 2020 diff hist +380 MRD:APP5718 →H+H2 system
08:2008:20, 24 May 2020 diff hist +162 MRD:APP5718 →H+H2 system

15:0015:00, 16 May 2020 diff hist +808 CID:01547604 No edit summary current
14:5514:55, 16 May 2020 diff hist +247 CID:01547604 No edit summary
14:5314:53, 16 May 2020 diff hist +697 CID:01547604 No edit summary
14:4814:48, 16 May 2020 diff hist +233 CID:01547604 No edit summary
14:4514:45, 16 May 2020 diff hist +209 CID:01547604 No edit summary
14:4314:43, 16 May 2020 diff hist +301 CID:01547604 No edit summary
14:3614:36, 16 May 2020 diff hist +277 CID:01547604 No edit summary
14:3214:32, 16 May 2020 diff hist +184 CID:01547604 No edit summary
14:1914:19, 16 May 2020 diff hist +425 CID:01547604 No edit summary
14:1714:17, 16 May 2020 diff hist +158 CID:01547604 No edit summary
14:1614:16, 16 May 2020 diff hist +271 CID:01547604 No edit summary
14:1414:14, 16 May 2020 diff hist +255 CID:01547604 No edit summary
13:5013:50, 16 May 2020 diff hist +512 MRD:ahp3018 No edit summary current
13:4613:46, 16 May 2020 diff hist +635 MRD:ahp3018 →Modes of energy distribution
13:4213:42, 16 May 2020 diff hist +201 MRD:ahp3018 →Release of energy
13:4113:41, 16 May 2020 diff hist +318 MRD:ahp3018 →Activation energies
13:3913:39, 16 May 2020 diff hist +212 MRD:ahp3018 →Location of the transition states
13:3813:38, 16 May 2020 diff hist +164 MRD:ahp3018 →Location of the transition states
13:3713:37, 16 May 2020 diff hist +318 MRD:ahp3018 →Transition states and enthalpy of the reaction
13:3513:35, 16 May 2020 diff hist +218 MRD:ahp3018 →Transition states and enthalpy of the reaction
13:3013:30, 16 May 2020 diff hist +674 MRD:ahp3018 →Transition state theory
13:2713:27, 16 May 2020 diff hist +394 MRD:ahp3018 →Reactive and unreactive trajectories
13:2213:22, 16 May 2020 diff hist +400 MRD:ahp3018 →Trajectories and minimum energy path
13:1813:18, 16 May 2020 diff hist +514 MRD:ahp3018 →Locating the transition state
13:1613:16, 16 May 2020 diff hist +186 MRD:ahp3018 →Dynamics from the transition state region
13:0913:09, 16 May 2020 diff hist +135 MRD:ahp3018 →H + H2 System
13:0513:05, 16 May 2020 diff hist +315 MRD:annelise →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. current
13:0213:02, 16 May 2020 diff hist +198 MRD:annelise →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.
12:5912:59, 16 May 2020 diff hist +122 MRD:annelise →Locate the approximate position of the transition state
12:5812:58, 16 May 2020 diff hist +336 MRD:annelise →By inspecting the potential energy surfaces, classify the F+H_{2}\rightarrow H+HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?
12:5512:55, 16 May 2020 diff hist +226 MRD:annelise →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
12:5412:54, 16 May 2020 diff hist +296 MRD:annelise →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
12:5312:53, 16 May 2020 diff hist +372 MRD:annelise →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 the table?
12:5012:50, 16 May 2020 diff hist +109 MRD:zxt201019 No edit summary current
12:4912:49, 16 May 2020 diff hist +112 MRD:annelise →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 the table?
12:4812:48, 16 May 2020 diff hist +202 MRD:annelise →Comparing the Minimum Energy Pathway (MEP) and the trajectory you just calculated differ.
12:4712:47, 16 May 2020 diff hist +188 MRD:annelise →Comparing the Minimum Energy Pathway (MEP) and the trajectory you just calculated differ.
12:4612:46, 16 May 2020 diff hist +118 MRD:annelise →Estimate of the transition state position (rts) for H+H_{2}\rightarrow H_{2}+H.
12:4312:43, 16 May 2020 diff hist +453 MRD:annelise →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?
12:3512:35, 16 May 2020 diff hist +286 MRD:01499685 →EXERCISE 2: F - H - H system current

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