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User contributions for Maa218

Results for Maa218 talk block log uploads logs

A user with 332 edits. Account created on 19 February 2019.

09:0709:07, 6 May 2020 diff hist −4 MRD:MAlberts →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.
09:0709:07, 6 May 2020 diff hist +27 MRD:MAlberts →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.
09:0609:06, 6 May 2020 diff hist +26 MRD:MAlberts →Comment on how the mep and the trajectory you just calculated differ.
09:0509:05, 6 May 2020 diff hist +2 MRD:MAlberts →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. Tag: Visual edit
09:0309:03, 6 May 2020 diff hist +25 MRD:MAlberts →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. Tag: Visual edit
07:4607:46, 6 May 2020 diff hist −6 MRD:MAlberts →Exercise 1 Tag: Visual edit
07:4507:45, 6 May 2020 diff hist +83 MRD:MAlberts →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. Tag: Visual edit
07:4107:41, 6 May 2020 diff hist +10 MRD:MAlberts →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
07:4007:40, 6 May 2020 diff hist +419 MRD:MAlberts →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. Tag: Visual edit
07:3607:36, 6 May 2020 diff hist +7 MRD:MAlberts →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
07:3507:35, 6 May 2020 diff hist 0 N File:MAlberts Q2 Internuclear distance vs time.png No edit summary current
07:3507:35, 6 May 2020 diff hist 0 N File:MAlberts Q2 Forces.png No edit summary current
07:3507:35, 6 May 2020 diff hist 0 N File:MAlberts Q2 contour plot.png No edit summary current
07:3407:34, 6 May 2020 diff hist +338 MRD:MAlberts →Exercise 1 Tag: Visual edit
07:2807:28, 6 May 2020 diff hist +505 MRD:MAlberts →Molecular Reaction Dynamics
07:2007:20, 6 May 2020 diff hist +44 MRD:MAlberts →Molecular Reaction Dynamics
07:1907:19, 6 May 2020 diff hist +268 MRD:MAlberts No edit summary Tag: Visual edit

19:2919:29, 5 May 2020 diff hist +1,187 MRD:MAlberts →Molecular Reaction Dynamics Tag: Visual edit
18:5618:56, 5 May 2020 diff hist 0 N File:MAlberts Saddle point.png No edit summary current
17:2017:20, 5 May 2020 diff hist +218 MRD:MAlberts →Question 1: Tag: Visual edit
17:1417:14, 5 May 2020 diff hist +309 MRD:MAlberts →Question 1:
17:0817:08, 5 May 2020 diff hist −28 MRD:MAlberts →Question 1:
17:0717:07, 5 May 2020 diff hist −485 MRD:MAlberts No edit summary
17:0317:03, 5 May 2020 diff hist +9 MRD:MAlberts →Question 1:
16:5916:59, 5 May 2020 diff hist +402 MRD:MAlberts →Question 1:
16:4016:40, 5 May 2020 diff hist +153 MRD:MAlberts →Question 1:
16:3616:36, 5 May 2020 diff hist +149 MRD:MAlberts →Question 1: Tag: Visual edit: Switched

16:2716:27, 4 May 2020 diff hist +68 N MRD:MAlberts Created page with "= Molecular Reaction Dynamics = == Exercise 1 == === Question 1: ==="

12:1312:13, 22 February 2019 diff hist +11 Rep:Mod:MAlberts →Atomic Charge
12:1312:13, 22 February 2019 diff hist +11 Rep:Mod:MAlberts →Vibrations
12:1212:12, 22 February 2019 diff hist +22 Rep:Mod:MAlberts →N2
12:1212:12, 22 February 2019 diff hist +22 Rep:Mod:MAlberts →H2
12:1112:11, 22 February 2019 diff hist +22 Rep:Mod:MAlberts →SH2
12:1012:10, 22 February 2019 diff hist −10 Rep:Mod:MAlberts →SbF5
12:0912:09, 22 February 2019 diff hist +12 Rep:Mod:MAlberts →SbF5
12:0412:04, 22 February 2019 diff hist −88 Rep:Mod:MAlberts →Molecular Modeling 2
12:0312:03, 22 February 2019 diff hist −2 Rep:Mod:DPC18 →N2 Structure and Reactivity
12:0212:02, 22 February 2019 diff hist +89 Rep:Mod:MAlberts →Molecular Modeling 2
11:5911:59, 22 February 2019 diff hist +242 Rep:Mod:MAlberts →SbF5
11:5611:56, 22 February 2019 diff hist +295 Rep:Mod:MAlberts →SbF5
11:5111:51, 22 February 2019 diff hist +57 Rep:Mod:MAlberts →SbF5
11:4911:49, 22 February 2019 diff hist +12 Rep:Mod:MAlberts →SbF5
11:4811:48, 22 February 2019 diff hist +147 Rep:Mod:MAlberts →SbF5
11:4211:42, 22 February 2019 diff hist +63 Rep:Mod:MAlberts →SbF5
11:3011:30, 22 February 2019 diff hist +1 Rep:Mod:MAlberts →SbF5
11:3011:30, 22 February 2019 diff hist −1 Rep:Mod:MAlberts →SbF5
11:2911:29, 22 February 2019 diff hist +2 Rep:Mod:MAlberts →SbF5
11:2811:28, 22 February 2019 diff hist 0 N File:MARVIN ALBERTS Charge SBF5.png No edit summary current
11:2611:26, 22 February 2019 diff hist 0 N File:MARVIN ALBERTS Vibrations SBF5.png No edit summary current
11:2511:25, 22 February 2019 diff hist +11 Rep:Mod:MAlberts →SH2

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