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User contributions for Iab18

Results for Iab18 talk block log uploads logs

A user with 228 edits. Account created on 18 March 2019.

13:5413:54, 5 May 2020 diff hist 0 N File:01513089 Surface Plot3.png No edit summary
13:5413:54, 5 May 2020 diff hist 0 N File:01513089 Surface Plot2.png No edit summary
13:5413:54, 5 May 2020 diff hist 0 File:01513089 Surface Plot1.png Iab18 uploaded a new version of File:01513089 Surface Plot1.png
13:5413:54, 5 May 2020 diff hist +1,368 MRD:Fiesta →Reactive and Unreactive trajectories Tag: Visual edit
13:2613:26, 5 May 2020 diff hist +198 MRD:Fiesta No edit summary Tag: Visual edit
13:2613:26, 5 May 2020 diff hist 0 N File:01513089 Surface Plot1.png No edit summary
13:2013:20, 5 May 2020 diff hist −32 MRD:Fiesta →Reactive and Unreactive trajectories Tag: Visual edit
13:2013:20, 5 May 2020 diff hist +658 MRD:Fiesta →Setup a calculation where the initial positions correspond to the final positions of the trajectory you calculated above, the same final momenta values but with their signs reversed. What do you observe? Tag: Visual edit
12:5312:53, 5 May 2020 diff hist +1,177 MRD:Fiesta →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
12:0812:08, 5 May 2020 diff hist +46 MRD:Fiesta No edit summary
12:0812:08, 5 May 2020 diff hist +643 MRD:Fiesta →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
12:0812:08, 5 May 2020 diff hist 0 N File:01513089 Surface Plot of mepdyn.png No edit summary current
11:0311:03, 5 May 2020 diff hist +43 MRD:Fiesta No edit summary
11:0211:02, 5 May 2020 diff hist 0 N File:01513089 distance between h3.png No edit summary current
11:0111:01, 5 May 2020 diff hist +865 MRD:Fiesta No edit summary Tag: Visual edit
10:4610:46, 5 May 2020 diff hist +225 MRD:Fiesta →Exercise 1: H + H2 system Tag: Visual edit
10:4410:44, 5 May 2020 diff hist +302 MRD:Fiesta →Coordinates Tag: Visual edit
10:3910:39, 5 May 2020 diff hist 0 File:01513089 saddle point.png Iab18 uploaded a new version of File:01513089 saddle point.png current
10:3810:38, 5 May 2020 diff hist +36 MRD:Fiesta No edit summary
10:3710:37, 5 May 2020 diff hist 0 N File:01513089 saddle point.png No edit summary
10:3610:36, 5 May 2020 diff hist −38 MRD:Fiesta →Coordinates Tag: Visual edit
10:0810:08, 5 May 2020 diff hist +517 MRD:Fiesta →Coordinates Tag: Visual edit

13:2413:24, 4 May 2020 diff hist +11 MRD:Fiesta →Exercise 1: H + H2 system Tag: Visual edit
13:2313:23, 4 May 2020 diff hist +1 MRD:Fiesta →Exercise 1: H + H2 systemCoordinates
13:2313:23, 4 May 2020 diff hist +11 MRD:Fiesta →Exercise 1: H + H2 system Tag: Visual edit
13:2313:23, 4 May 2020 diff hist +11 MRD:Fiesta →Exercise 1: H + H2 system Tag: Visual edit
13:2213:22, 4 May 2020 diff hist +32 N MRD:Fiesta Created page with " == Exercise 1: H + H2 system =="

13:5813:58, 22 March 2019 diff hist 0 Rep:Mod:IAB →MOs of CN-
13:5613:56, 22 March 2019 diff hist +207 Rep:Mod:IAB →Independence Mark: CN- bond length
13:5413:54, 22 March 2019 diff hist +1 Rep:Mod:IAB →Calculated Vibrations of CN-
13:5313:53, 22 March 2019 diff hist +5 Rep:Mod:IAB →.log File of CN- Molecule
13:5313:53, 22 March 2019 diff hist 0 File:IAB18 CN- OPTIMISATION.LOG Iab18 uploaded a new version of File:IAB18 CN- OPTIMISATION.LOG current
13:5213:52, 22 March 2019 diff hist −1 Rep:Mod:IAB →Bond Length of N2 in mono-metallic transition metal complex
13:5113:51, 22 March 2019 diff hist +11 Rep:Mod:IAB →Calculated Vibrations of H2
13:5013:50, 22 March 2019 diff hist 0 Rep:Mod:IAB →Calculated Vibrations of NH3
13:4913:49, 22 March 2019 diff hist +11 Rep:Mod:IAB →Calculated Vibrations of NH3
13:4813:48, 22 March 2019 diff hist +11 Rep:Mod:IAB →NH3 Vibrations
13:4613:46, 22 March 2019 diff hist +28 Rep:Mod:IAB →Independence Mark
13:4513:45, 22 March 2019 diff hist +1,353 Rep:Mod:IAB →Independence Mark
13:3613:36, 22 March 2019 diff hist −39 Rep:Mod:IAB →Independence Mark
13:3413:34, 22 March 2019 diff hist +387 Rep:Mod:IAB →Independence Mark
13:3213:32, 22 March 2019 diff hist +1 Rep:Mod:IAB →Independence Mark
13:3213:32, 22 March 2019 diff hist +1,099 Rep:Mod:IAB →Independence Mark
13:3013:30, 22 March 2019 diff hist 0 N File:FILDEL01.mol2 No edit summary current
13:2913:29, 22 March 2019 diff hist 0 N File:DEHMIP.mol2 No edit summary current
13:2513:25, 22 March 2019 diff hist +135 Rep:Mod:test No edit summary Tag: Visual edit
13:2413:24, 22 March 2019 diff hist +585 Rep:Mod:IAB →Independence Mark
13:2013:20, 22 March 2019 diff hist 0 N File:AVARUM.mol2 No edit summary current
13:1713:17, 22 March 2019 diff hist −175 Rep:Mod:IAB →MOs of CN-
13:1713:17, 22 March 2019 diff hist −5 Rep:Mod:IAB →MOs of CN-

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