User contributions for Yf1411
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9 February 2014
- 15:0415:04, 9 February 2014 diff hist 0 N File:Chair opt guess yf.log No edit summary current
- 15:0415:04, 9 February 2014 diff hist +33 Rep:Mod:yf04q3 →First Approach: Optimization with Berny Algorithm
- 15:0215:02, 9 February 2014 diff hist +8 Rep:Mod:yf04q3 →First Approach: Optimization with Berny Algorithm
- 15:0115:01, 9 February 2014 diff hist −6 Rep:Mod:yf04q3 →First Approach: Optimization with Berny Algorithm
- 15:0015:00, 9 February 2014 diff hist 0 File:Chair opt guess yf.gif uploaded a new version of "File:Chair opt guess yf.gif" current
- 14:5814:58, 9 February 2014 diff hist −1 Rep:Mod:yf04q3 →First Approach: Optimization with Berny Algorithm
- 14:5714:57, 9 February 2014 diff hist 0 N File:Chair opt guess yf.gif No edit summary
- 14:5614:56, 9 February 2014 diff hist +580 Rep:Mod:yf04q3 →First Approach: Optimization with Berny Algorithm
- 14:5014:50, 9 February 2014 diff hist +269 Rep:Mod:yf04q3 →First Approach: Optimization with Berny Algorithm
- 14:3814:38, 9 February 2014 diff hist +307 Rep:Mod:yf04q3 →Optimization of Chair and Boat Transition structure
8 February 2014
- 15:3615:36, 8 February 2014 diff hist +57 Rep:Mod:yf04q3 →Thermochemistry of Anti 2
- 15:3415:34, 8 February 2014 diff hist +1,160 Rep:Mod:yf04q3 →Thermochemistry of Anti 2
- 15:2515:25, 8 February 2014 diff hist +33 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 15:2015:20, 8 February 2014 diff hist 0 N File:Freq32 yf.gif No edit summary current
- 15:1915:19, 8 February 2014 diff hist 0 N File:Freq31 yf.gif No edit summary current
- 15:1815:18, 8 February 2014 diff hist +49 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 15:1615:16, 8 February 2014 diff hist +2 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 15:1515:15, 8 February 2014 diff hist +332 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 15:0815:08, 8 February 2014 diff hist +192 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 15:0715:07, 8 February 2014 diff hist +5 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 15:0715:07, 8 February 2014 diff hist 0 N File:Freq30 yf.gif No edit summary current
- 15:0615:06, 8 February 2014 diff hist 0 N File:Freq28 yf.gif No edit summary current
- 15:0415:04, 8 February 2014 diff hist 0 N File:Freq25 yf.gif No edit summary current
- 15:0315:03, 8 February 2014 diff hist 0 N File:Freq22 yf.gif No edit summary current
- 15:0215:02, 8 February 2014 diff hist 0 N File:Freq21 yf.gif No edit summary current
- 15:0115:01, 8 February 2014 diff hist 0 N File:Freq19 yf.gif No edit summary current
- 15:0015:00, 8 February 2014 diff hist 0 N File:Freq17 yf.gif No edit summary current
- 14:5914:59, 8 February 2014 diff hist 0 N File:Freq13 yf.gif No edit summary current
- 14:5814:58, 8 February 2014 diff hist 0 N File:Freq11 yf.gif No edit summary current
- 14:5814:58, 8 February 2014 diff hist 0 N File:Freq10 yf.gif No edit summary current
- 14:5714:57, 8 February 2014 diff hist 0 N File:Freq9 yf.gif No edit summary current
- 14:5614:56, 8 February 2014 diff hist 0 N File:Freq7 yf.gif No edit summary current
- 14:5414:54, 8 February 2014 diff hist 0 N File:Freq4 yf.gif No edit summary current
- 14:5214:52, 8 February 2014 diff hist 0 N File:Freq2 yf.gif No edit summary current
- 14:5114:51, 8 February 2014 diff hist 0 N File:Freq1 yf.gif No edit summary current
- 14:5114:51, 8 February 2014 diff hist 0 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:5014:50, 8 February 2014 diff hist +768 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:4514:45, 8 February 2014 diff hist +785 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:2714:27, 8 February 2014 diff hist +25 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:2614:26, 8 February 2014 diff hist +18 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:2614:26, 8 February 2014 diff hist 0 N File:Spectra yf.jpg No edit summary current
- 14:2514:25, 8 February 2014 diff hist 0 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:2014:20, 8 February 2014 diff hist +25 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:0714:07, 8 February 2014 diff hist 0 File:Freq42 yf.gif uploaded a new version of "File:Freq42 yf.gif" current
- 14:0614:06, 8 February 2014 diff hist 0 File:Freq42 yf.gif uploaded a new version of "File:Freq42 yf.gif"
- 14:0314:03, 8 February 2014 diff hist −11 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 14:0014:00, 8 February 2014 diff hist 0 N File:Freq42 yf.gif No edit summary
- 14:0014:00, 8 February 2014 diff hist +4 Rep:Mod:yf04q3 →Frequency Analysis of Anti 2 conformers [B3LYP/6-31G(d)]
- 13:5913:59, 8 February 2014 diff hist +731 Rep:Mod:yf04q3 →Frequency Analysis of 1,5 Hexadiene Anti 2 conformers [B3LYP/6-31G(d)]
- 13:2913:29, 8 February 2014 diff hist +78 Rep:Mod:yf04q3 →Optimization of 1,5 Hexadiene Anti 2 conformers [B3LYP/6-31G(d)]