User contributions for Sl7514
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21 April 2018
- 21:4321:43, 21 April 2018 diff hist +27 Mod:Hunt Research Group:troublesome smd No edit summary
- 21:3721:37, 21 April 2018 diff hist +207 Mod:Hunt Research Group:troublesome smd No edit summary Tag: Visual edit
- 21:3721:37, 21 April 2018 diff hist 0 N File:Frequency example2.png No edit summary current
- 21:3621:36, 21 April 2018 diff hist 0 N File:Convergence example2.png No edit summary current
- 21:3621:36, 21 April 2018 diff hist 0 N File:Convergence example1.png No edit summary current
- 21:3521:35, 21 April 2018 diff hist 0 N File:Frequency example1.png No edit summary current
- 21:3021:30, 21 April 2018 diff hist −16 Mod:Hunt Research Group:troublesome smd No edit summary
- 21:2921:29, 21 April 2018 diff hist +26 Mod:Hunt Research Group:troublesome smd No edit summary
- 21:2821:28, 21 April 2018 diff hist −14 Mod:Hunt Research Group:troublesome smd No edit summary
- 21:2721:27, 21 April 2018 diff hist +16 Mod:Hunt Research Group:troublesome smd No edit summary
- 21:2621:26, 21 April 2018 diff hist +2,140 N Mod:Hunt Research Group:troublesome smd Created page with "SMD calculations with large imaginary frequencies During your SMD calculations, you may run into a situation where the Gaussian optimisation has terminated normally but still..."
- 21:2621:26, 21 April 2018 diff hist 0 N File:Verytight troublesome smd opt.txt No edit summary current
- 21:2621:26, 21 April 2018 diff hist 0 N File:Verytight troublesome smd opt.log No edit summary current
- 21:2521:25, 21 April 2018 diff hist 0 N File:Verytight troublesome smd freq.txt No edit summary current
- 21:2521:25, 21 April 2018 diff hist 0 N File:Verytight troublesome smd freq.log No edit summary current
- 21:2221:22, 21 April 2018 diff hist 0 N File:Troublesome smd optimisation figure.png No edit summary current
- 21:1921:19, 21 April 2018 diff hist 0 N File:Troublesome smd opt.log No edit summary current
- 21:1821:18, 21 April 2018 diff hist 0 N File:Troublesome smd freq.log No edit summary current
- 18:2418:24, 21 April 2018 diff hist +127 Mod:Hunt Research Group →Gaussian General
13 March 2018
- 16:4116:41, 13 March 2018 diff hist +4 Mod:Hunt Research Group No edit summary Tag: Visual edit
8 March 2018
- 12:3912:39, 8 March 2018 diff hist 0 File:Nbo charge script.txt Sl7514 uploaded a new version of File:Nbo charge script.txt current
- 12:1012:10, 8 March 2018 diff hist +1 Mod:Hunt Research Group/chelpg extract No edit summary current Tag: Visual edit
- 12:1012:10, 8 March 2018 diff hist +1,037 Mod:Hunt Research Group/chelpg extract No edit summary Tag: Visual edit
- 12:0012:00, 8 March 2018 diff hist +595 Mod:Hunt Research Group/chelpg extract No edit summary
- 11:5411:54, 8 March 2018 diff hist +6 Mod:Hunt Research Group/chelpg extract No edit summary
- 11:5411:54, 8 March 2018 diff hist +494 Mod:Hunt Research Group/chelpg extract No edit summary Tag: Visual edit: Switched
- 11:5411:54, 8 March 2018 diff hist 0 N File:Test nbo.xlsx No edit summary current
- 11:5311:53, 8 March 2018 diff hist 0 N File:Test nbo.log No edit summary current
- 11:5311:53, 8 March 2018 diff hist 0 N File:Nbo charge script.txt No edit summary
- 11:5211:52, 8 March 2018 diff hist 0 N File:Test chelpg.xlsx No edit summary current
- 11:5211:52, 8 March 2018 diff hist 0 N File:Test chelpg.log No edit summary current
- 11:4811:48, 8 March 2018 diff hist +60 N File:Chelpg.txt Python code to extract charge values from CHLEPG calculation current
- 11:4111:41, 8 March 2018 diff hist +72 N Mod:Hunt Research Group/chelpg extract Created page with "Before running the code please ensure you have XlsxWriter python module:"
- 11:4011:40, 8 March 2018 diff hist +14 Mod:Hunt Research Group →Codes to Help Gaussian Analysis
- 11:3911:39, 8 March 2018 diff hist +131 Mod:Hunt Research Group →Codes to Help Gaussian Analysis
18 December 2017
- 13:1613:16, 18 December 2017 diff hist +81 Mod:Hunt Research Group/calendar No edit summary
16 March 2017
- 10:3210:32, 16 March 2017 diff hist 0 Rep:SL7514TransitionStates No edit summary
- 10:2910:29, 16 March 2017 diff hist 0 N File:SL7514 Exo Steric Clash2.png No edit summary current
9 March 2017
- 22:0322:03, 9 March 2017 diff hist 0 Rep:SL7514TransitionStates No edit summary
- 21:4321:43, 9 March 2017 diff hist 0 Rep:SL7514TransitionStates No edit summary
- 21:4021:40, 9 March 2017 diff hist 0 Rep:SL7514TransitionStates No edit summary
- 21:3521:35, 9 March 2017 diff hist +11 Rep:SL7514TransitionStates No edit summary
- 21:2821:28, 9 March 2017 diff hist +43 Rep:SL7514TransitionStates No edit summary
- 20:3820:38, 9 March 2017 diff hist +3 Rep:SL7514TransitionStates No edit summary
- 20:1620:16, 9 March 2017 diff hist +2,318 Rep:SL7514TransitionStates No edit summary
- 20:1020:10, 9 March 2017 diff hist 0 N File:SL7514 Non-planar antiaromatic.png No edit summary current
- 20:0120:01, 9 March 2017 diff hist 0 N File:SL7514 Disrotatory photochemistry.png No edit summary current
- 19:4119:41, 9 March 2017 diff hist +1,560 Rep:SL7514TransitionStates No edit summary
- 19:2319:23, 9 March 2017 diff hist 0 N File:Exo Steric Clash2.png No edit summary current
- 19:2219:22, 9 March 2017 diff hist 0 File:SL7514 Exo Steric Clash.png Sl7514 uploaded a new version of File:SL7514 Exo Steric Clash.png current