User contributions for Xx516
8 May 2018
- 15:0815:08, 8 May 2018 diff hist 0 N File:Q1 transition point.PNG No edit summary current
- 15:0015:00, 8 May 2018 diff hist 0 N File:Q2 0.908.PNG No edit summary current
- 14:4514:45, 8 May 2018 diff hist +1,150 MRD:lydia No edit summary Tag: Visual edit
- 14:4414:44, 8 May 2018 diff hist 0 File:Q3 MEP.png Xx516 uploaded a new version of File:Q3 MEP.png current
- 14:3814:38, 8 May 2018 diff hist 0 N File:Q3 dynamics.PNG No edit summary current
- 14:3414:34, 8 May 2018 diff hist 0 N File:Q3 MEP.png No edit summary
- 14:2614:26, 8 May 2018 diff hist 0 N File:Q2 0.804 diagram.png No edit summary current
- 14:0914:09, 8 May 2018 diff hist +371 MRD:lydia No edit summary Tag: Visual edit
- 14:0114:01, 8 May 2018 diff hist +3 MRD:lydia No edit summary Tag: Visual edit
- 14:0014:00, 8 May 2018 diff hist −3 MRD:lydia No edit summary Tag: Visual edit
- 13:5813:58, 8 May 2018 diff hist +17 MRD:lydia No edit summary Tag: Visual edit
- 13:5613:56, 8 May 2018 diff hist +565 N MRD:lydia Created page with " == Exercise 1: H + H<sub>2</sub> system == === Dynamics from the transition state region === '''What value do the different components of the gradient of the potential ene..."
- 13:5213:52, 8 May 2018 diff hist 0 N File:Potential surface plot Q1.png No edit summary current
23 March 2017
- 10:4010:40, 23 March 2017 diff hist +445 Mod-Xxn →Molecular orbitals current
- 10:2510:25, 23 March 2017 diff hist +205 Mod-Xxn →Calculation of reaction energies
- 10:2110:21, 23 March 2017 diff hist +85 Mod-Xxn →Calculation of reaction energies
- 10:1410:14, 23 March 2017 diff hist +155 Mod-Xxn →Item
- 10:0110:01, 23 March 2017 diff hist +1,283 Mod-Xxn →Molecular orbitals
- 09:5209:52, 23 March 2017 diff hist 0 N File:12th orbital.PNG No edit summary current
- 09:4509:45, 23 March 2017 diff hist 0 N File:10th orbital.PNG No edit summary current
- 09:4209:42, 23 March 2017 diff hist 0 N File:9th orbital.PNG No edit summary current
- 09:3909:39, 23 March 2017 diff hist 0 N File:7th orbital.PNG No edit summary current
- 09:3609:36, 23 March 2017 diff hist 0 N File:1s-Si(frame).PNG No edit summary current
- 09:3509:35, 23 March 2017 diff hist 0 N File:1s-Si.PNG No edit summary current
- 09:1809:18, 23 March 2017 diff hist +425 Mod-Xxn →Charge on the molecule
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22 March 2017
- 18:3318:33, 22 March 2017 diff hist +1,198 Mod-Xxn →H2SiO
- 18:2418:24, 22 March 2017 diff hist 0 N File:H2SiO vibrations.PNG No edit summary current
- 18:2318:23, 22 March 2017 diff hist 0 N File:H2SIO OPT.LOG No edit summary current
- 18:2318:23, 22 March 2017 diff hist 0 N File:H2SiO charge.PNG No edit summary current
- 18:1418:14, 22 March 2017 diff hist +22 Mod-Xxn →Calculation of reaction energies
- 18:0418:04, 22 March 2017 diff hist +525 Mod-Xxn →Calculation of reaction energies
- 17:4317:43, 22 March 2017 diff hist +110 Mod-Xxn →Charge on the molecule
- 17:3917:39, 22 March 2017 diff hist +1,299 Mod-Xxn →H2 Optimisation
- 17:3117:31, 22 March 2017 diff hist 0 N File:N2 OPT.LOG No edit summary current
- 17:3117:31, 22 March 2017 diff hist 0 N File:N2 vibration.PNG No edit summary
- 17:3117:31, 22 March 2017 diff hist 0 N File:N2 charge.PNG No edit summary
- 17:2317:23, 22 March 2017 diff hist +267 Mod-Xxn →H2 Optimisation
- 17:2217:22, 22 March 2017 diff hist 0 N File:H2 Charge.PNG No edit summary
- 17:1917:19, 22 March 2017 diff hist +196 Mod-Xxn →thumb|A Gaussview image of an optimised hydrogen gas molecule.==Vibrations of the molecule==
- 17:1517:15, 22 March 2017 diff hist −2 Mod-Xxn →H2 Optimisation
- 17:1417:14, 22 March 2017 diff hist +125 Mod-Xxn →H2 Optimisation
- 17:1317:13, 22 March 2017 diff hist 0 N File:H2 Vibration.PNG No edit summary current
- 17:1017:10, 22 March 2017 diff hist +239 Mod-Xxn →Item
- 17:0817:08, 22 March 2017 diff hist +234 Mod-Xxn →H2 Optimisation
- 17:0317:03, 22 March 2017 diff hist 0 N File:H2 data.txt No edit summary current
- 17:0317:03, 22 March 2017 diff hist 0 N File:H2 OPT.LOG No edit summary
- 16:5916:59, 22 March 2017 diff hist −2 Mod-Xxn →NH3 Optimisation
- 16:5816:58, 22 March 2017 diff hist +227 Mod-Xxn →H2 Optimisation
