User contributions for Jfa14
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23 February 2017
- 02:4802:48, 23 February 2017 diff hist +136 Rep:Jfa14 →Phonon modes
- 02:4602:46, 23 February 2017 diff hist 0 Rep:Jfa14 →Phonon modes
- 02:4402:44, 23 February 2017 diff hist +492 Rep:Jfa14 No edit summary Tag: Visual edit: Switched
22 February 2017
- 17:4217:42, 22 February 2017 diff hist 0 N File:Jfa14-QHAparam.jpg No edit summary current
- 17:4217:42, 22 February 2017 diff hist 0 N File:Jfa14-QHAhelm.jpg No edit summary current
- 17:4117:41, 22 February 2017 diff hist 0 N File:Jfa14-MIXvol.jpg No edit summary current
- 17:4117:41, 22 February 2017 diff hist 0 N File:Jfa14-MDvol.jpg No edit summary current
- 17:0817:08, 22 February 2017 diff hist 0 N File:Jfa14-dos40.jpg No edit summary current
- 17:0817:08, 22 February 2017 diff hist 0 N File:Jfa14-dos30.jpg No edit summary current
- 17:0717:07, 22 February 2017 diff hist 0 N File:Jfa14-dos14.jpg No edit summary current
- 17:0717:07, 22 February 2017 diff hist 0 N File:Jfa14-dos07.jpg No edit summary current
- 17:0717:07, 22 February 2017 diff hist 0 N File:Jfa14-dos01.jpg No edit summary current
- 17:0617:06, 22 February 2017 diff hist 0 N File:Jfa14-dispersion300.jpg No edit summary current
21 February 2017
- 20:3220:32, 21 February 2017 diff hist +3 Rep:Jfa14 No edit summary Tag: Visual edit
- 20:0720:07, 21 February 2017 diff hist +813 Rep:Jfa14 No edit summary Tag: Visual edit
- 16:4016:40, 21 February 2017 diff hist +15 Rep:Jfa14 No edit summary Tag: Visual edit
- 16:4016:40, 21 February 2017 diff hist +74 Rep:Jfa14 No edit summary Tag: Visual edit
- 16:3316:33, 21 February 2017 diff hist −5 Rep:Jfa14 No edit summary Tag: Visual edit
- 13:2013:20, 21 February 2017 diff hist 0 Rep:Jfa14 →Thermal expansion of MgO
20 February 2017
- 23:3023:30, 20 February 2017 diff hist +1,301 Rep:Jfa14 No edit summary Tag: Visual edit
- 16:3216:32, 20 February 2017 diff hist +3,854 Rep:Jfa14 No edit summary Tag: Visual edit
14 February 2017
- 17:5517:55, 14 February 2017 diff hist +368 N Rep:Jfa14 Created page with "==Phonon modes== *The k-point computed is L = k 10 = k 11 = 0.500000 0.500000 0.500000, freq 288.49 288.49 351.76 351.76 676.23 818.82, confirmed by the highest DOS occurring..."
4 November 2016
- 16:1816:18, 4 November 2016 diff hist +167 Rep:Mod:jfa1995 →Molecular orbitals of the exo/endo Diels-Alder reaction
- 11:5911:59, 4 November 2016 diff hist +336 Rep:Mod:jfa1995 →Molecular orbitals of the exo/endo Diels-Alder reaction
- 11:4911:49, 4 November 2016 diff hist −2 Rep:Mod:jfa1995 →Transition state vibrations and bond formation
- 11:4911:49, 4 November 2016 diff hist −22 Rep:Mod:jfa1995 No edit summary
- 11:4811:48, 4 November 2016 diff hist +221 Rep:Mod:jfa1995 →Molecular orbitals of the exo/endo Diels-Alder reaction
- 11:3911:39, 4 November 2016 diff hist −116 Rep:Mod:jfa1995 →C-C bond lengths
- 11:3911:39, 4 November 2016 diff hist +61 Rep:Mod:jfa1995 →Molecular orbitals of the exo/endo Diels-Alder reaction
- 11:2011:20, 4 November 2016 diff hist +171 Rep:Mod:jfa1995 →Reaction profile and visualised reaction mechanism
- 11:1811:18, 4 November 2016 diff hist −32 Rep:Mod:jfa1995 →Transition state and reaction energies
- 11:1711:17, 4 November 2016 diff hist +272 Rep:Mod:jfa1995 →Transition state and reaction energies
- 11:1411:14, 4 November 2016 diff hist +612 Rep:Mod:jfa1995 →Transition state and reaction energies
- 11:0011:00, 4 November 2016 diff hist +21 Rep:Mod:jfa1995 →Reaction profile and visualised reaction mechanism
- 10:5910:59, 4 November 2016 diff hist +280 Rep:Mod:jfa1995 →Reaction profile and visualised reaction mechanism
- 10:5910:59, 4 November 2016 diff hist 0 N File:IRC data exo.jpg No edit summary current
- 10:5910:59, 4 November 2016 diff hist 0 N File:IRC data endo.jpg No edit summary current
- 10:5710:57, 4 November 2016 diff hist 0 N File:IRC data chel.jpg No edit summary current
- 10:4710:47, 4 November 2016 diff hist −32 Rep:Mod:jfa1995 →C-C bond lengths
- 10:3610:36, 4 November 2016 diff hist −39 Rep:Mod:jfa1995 →Exercise 3
- 10:3510:35, 4 November 2016 diff hist −181 Rep:Mod:jfa1995 →Transition state and reaction energies
- 10:3510:35, 4 November 2016 diff hist +122 Rep:Mod:jfa1995 →Transition state and reaction energies
- 10:3310:33, 4 November 2016 diff hist +65 Rep:Mod:jfa1995 →Transition state and reaction energies
- 10:3310:33, 4 November 2016 diff hist +2 Rep:Mod:jfa1995 →Transition state and reaction energies
- 10:3210:32, 4 November 2016 diff hist +200 Rep:Mod:jfa1995 →Transition state and reaction energies
- 10:3010:30, 4 November 2016 diff hist +23 Rep:Mod:jfa1995 →Transition state and reaction energies
- 10:1010:10, 4 November 2016 diff hist +9 Rep:Mod:jfa1995 →Transition state and reaction energies
- 09:4109:41, 4 November 2016 diff hist +96 Rep:Mod:jfa1995 →Transition state and reaction energies
- 09:3709:37, 4 November 2016 diff hist +218 Rep:Mod:jfa1995 →Transition state and reaction energies
- 09:3309:33, 4 November 2016 diff hist +114 Rep:Mod:jfa1995 →Transition state and reaction energies