User contributions for Wd812
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9 November 2014
- 09:5909:59, 9 November 2014 diff hist +29 User:Wd812 →Diels Alder reaction: regioselectivity
- 09:5609:56, 9 November 2014 diff hist +113 User:Wd812 →Diels Alder reaction study
- 09:5409:54, 9 November 2014 diff hist +6 User:Wd812 →The "Boat" transition structure
- 09:5409:54, 9 November 2014 diff hist +12 User:Wd812 →The "chair" transition structrue
- 09:5309:53, 9 November 2014 diff hist 0 User:Wd812 →The "Boat" transition structure
- 09:5109:51, 9 November 2014 diff hist +10 User:Wd812 →The "Boat" transition structure
- 09:4709:47, 9 November 2014 diff hist +26 User:Wd812 →The "chair" transition structrue
- 09:4309:43, 9 November 2014 diff hist +290 User:Wd812 →Frequency and IR check
- 09:3409:34, 9 November 2014 diff hist +130 User:Wd812 →IRC check and reaction path
- 09:2909:29, 9 November 2014 diff hist +169 User:Wd812 No edit summary
- 09:1009:10, 9 November 2014 diff hist 0 User:Wd812 →The "Boat" transition structure
- 08:3108:31, 9 November 2014 diff hist +145 User:Wd812 No edit summary
- 08:2408:24, 9 November 2014 diff hist −6 User:Wd812 →Energy calculation
- 08:2308:23, 9 November 2014 diff hist +178 User:Wd812 No edit summary
- 08:1908:19, 9 November 2014 diff hist +1,148 User:Wd812 No edit summary
- 08:1308:13, 9 November 2014 diff hist +626 User:Wd812 →Optimisation using HF3-21G basis set
- 08:0708:07, 9 November 2014 diff hist +391 User:Wd812 →Optimisation using HF3-21G basis set
- 07:5707:57, 9 November 2014 diff hist +267 User:Wd812 →Optimisation using HF3-21G basis set
- 07:4907:49, 9 November 2014 diff hist +1 User:Wd812 →Energy calculation
- 07:4807:48, 9 November 2014 diff hist −103 User:Wd812 →Energy calculation
- 00:1700:17, 9 November 2014 diff hist +162 User:Wd812 No edit summary
7 November 2014
- 10:4910:49, 7 November 2014 diff hist +332 User:Wd812 →Energy and geometry comparison
- 10:4310:43, 7 November 2014 diff hist 0 N File:EIRC50path.PNG No edit summary current
- 10:4310:43, 7 November 2014 diff hist 0 N File:EIRC50.LOG No edit summary current
- 10:3810:38, 7 November 2014 diff hist −1 User:Wd812 →The "Boat" transition structure
- 10:3710:37, 7 November 2014 diff hist −1 User:Wd812 →Frequency and IR check
- 10:3710:37, 7 November 2014 diff hist −19 User:Wd812 →IRC check
- 10:3610:36, 7 November 2014 diff hist +82 User:Wd812 No edit summary
- 10:3310:33, 7 November 2014 diff hist +152 User:Wd812 →Energy and geometry comparison
- 10:3310:33, 7 November 2014 diff hist 0 N File:IR631Ganti2fcq.PNG No edit summary
- 10:2710:27, 7 November 2014 diff hist 0 N File:631GANTI2FCQ.LOG No edit summary current
- 10:1610:16, 7 November 2014 diff hist +3 User:Wd812 →The "Boat" transition structure
- 10:1510:15, 7 November 2014 diff hist −2 User:Wd812 →The "Boat" transition structure
- 10:1210:12, 7 November 2014 diff hist +10 User:Wd812 →Optimisation using HF3-21G basis set
- 10:0710:07, 7 November 2014 diff hist +60 User:Wd812 →Optimize 'anti2' molecule using B3LYP6-31G*
- 10:0310:03, 7 November 2014 diff hist +2 User:Wd812 No edit summary
- 09:5509:55, 7 November 2014 diff hist +93 User:Wd812 →The "Boat" transition structure
- 09:5409:54, 7 November 2014 diff hist 0 N File:QST2FQC2.LOG No edit summary current
- 09:5109:51, 7 November 2014 diff hist 0 N File:QST2FQC2.gjf No edit summary current
- 09:4909:49, 7 November 2014 diff hist −107 User:Wd812 →The "Boat" transition structure
- 09:4809:48, 7 November 2014 diff hist +15 User:Wd812 →The "chair" transition structrue
- 09:4609:46, 7 November 2014 diff hist −2 User:Wd812 →The "chair" transition structrue
- 09:4509:45, 7 November 2014 diff hist 0 User:Wd812 →The "Boat" transition structure
- 09:4509:45, 7 November 2014 diff hist −26 User:Wd812 →The "Boat" transition structure
- 09:4409:44, 7 November 2014 diff hist +176 User:Wd812 No edit summary
- 09:2209:22, 7 November 2014 diff hist +1 User:Wd812 →The "Boat" transition structure
- 09:2109:21, 7 November 2014 diff hist +34 User:Wd812 No edit summary
- 09:2109:21, 7 November 2014 diff hist 0 N File:E)QST2freq.gif No edit summary
- 09:1909:19, 7 November 2014 diff hist +437 User:Wd812 →The "Boat" transition structure
- 09:0609:06, 7 November 2014 diff hist 0 User:Wd812 →The "Boat" transition structure