User contributions for Hl3010

5 December 2012

• 17:4317:43, 5 December 2012 diff hist 0 N File:ALLYL FRAGMENT TS GUESS CHAIR OPT 3-21G.LOG No edit summary current
• 17:3117:31, 5 December 2012 diff hist +263 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 17:3117:31, 5 December 2012 diff hist 0 N File:Hexadiene anti react 2 Freq 6-31G(d).chk No edit summary current
• 17:2917:29, 5 December 2012 diff hist 0 N File:HEXADIENE ANTI REACT 2 OPT 6-31G(D).LOG No edit summary current
• 17:2917:29, 5 December 2012 diff hist 0 N File:HEXADIENE ANTI REACT 2 OPT.LOG No edit summary current
• 17:2717:27, 5 December 2012 diff hist +290 Rep:Mod:littleliana3 →1,5 hexadiene HF/3-21G Optimization
• 17:2617:26, 5 December 2012 diff hist 0 N File:HEXADIENE GAUCHE REACT 4 OPT.LOG No edit summary current
• 17:2517:25, 5 December 2012 diff hist 0 N File:HEXADIENE GAUCHE REACT 1ST OPT.LOG No edit summary current
• 17:2417:24, 5 December 2012 diff hist 0 N File:HEXADIENE ANTI REACT 1ST OPT.LOG No edit summary current
• 17:2117:21, 5 December 2012 diff hist −1 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
• 17:0617:06, 5 December 2012 diff hist +303 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
• 17:0117:01, 5 December 2012 diff hist −2 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
• 16:5816:58, 5 December 2012 diff hist +1,126 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G
• 16:2016:20, 5 December 2012 diff hist +76 Rep:Mod:littleliana3 →Boat Transition State
• 16:1916:19, 5 December 2012 diff hist +549 Rep:Mod:littleliana3 →Chair Transition State Structure
• 16:1216:12, 5 December 2012 diff hist +502 Rep:Mod:littleliana3 →IRC Method
• 15:4815:48, 5 December 2012 diff hist +113 Rep:Mod:littleliana3 →IRC Method
• 14:1714:17, 5 December 2012 diff hist +1,059 Rep:Mod:littleliana3 →frozen coordinate approach
• 14:0314:03, 5 December 2012 diff hist −1 Rep:Mod:littleliana3 →QST3 method

4 December 2012

• 17:4917:49, 4 December 2012 diff hist +583 Rep:Mod:littleliana3 →QST2 method
• 17:4517:45, 4 December 2012 diff hist +834 Rep:Mod:littleliana3 →QST2 method
• 17:4417:44, 4 December 2012 diff hist 0 N File:QST2 2nd opt boat TS.gif No edit summary current
• 16:3216:32, 4 December 2012 diff hist +518 Rep:Mod:littleliana3 →frozen coordinate approach
• 16:2716:27, 4 December 2012 diff hist +1,384 Rep:Mod:littleliana3 →Optimizing the "Chair" and "Boat" Transition Structures
• 16:2516:25, 4 December 2012 diff hist 0 N File:3-21G opt chair TS Frozen 3-21G.gif No edit summary current
• 15:3515:35, 4 December 2012 diff hist +76 Rep:Mod:littleliana3 →Optimizing the "Chair" and "Boat" Transition Structures
• 15:3515:35, 4 December 2012 diff hist 0 N File:3-21G opt chair TS imaginary vibrational animation.gif No edit summary current
• 15:3315:33, 4 December 2012 diff hist +539 Rep:Mod:littleliana3 →Optimizing the "Chair" and "Boat" Transition Structures

27 November 2012

• 15:0415:04, 27 November 2012 diff hist +77 Rep:Mod:littleliana3 →Cope Rearrangement tutorial
• 14:5814:58, 27 November 2012 diff hist +666 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:5414:54, 27 November 2012 diff hist +182 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:5314:53, 27 November 2012 diff hist +3,061 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4414:44, 27 November 2012 diff hist +170 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4214:42, 27 November 2012 diff hist 0 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4114:41, 27 November 2012 diff hist 0 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4114:41, 27 November 2012 diff hist +9 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4114:41, 27 November 2012 diff hist −8 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4014:40, 27 November 2012 diff hist +100 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:4014:40, 27 November 2012 diff hist −19 Rep:Mod:littleliana2 →NBO analysis
• 14:3914:39, 27 November 2012 diff hist +19 Rep:Mod:littleliana2 →NBO analysis
• 14:3814:38, 27 November 2012 diff hist 0 N File:IR spect 1,5 hexadiene anti 2 conformer 6-31G.PNG No edit summary current
• 14:3414:34, 27 November 2012 diff hist +164 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 14:3314:33, 27 November 2012 diff hist +963 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 13:5013:50, 27 November 2012 diff hist +181 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 13:3413:34, 27 November 2012 diff hist +517 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
• 13:1013:10, 27 November 2012 diff hist +71 Rep:Mod:littleliana3 →1,5 hexadiene HF/3-21G Optimization

26 November 2012

• 15:1915:19, 26 November 2012 diff hist +534 Rep:Mod:littleliana3 →1,5 hexadiene HF/3-21G Optimization
• 14:5814:58, 26 November 2012 diff hist +645 Rep:Mod:littleliana3 →1,5 hexadiene HF/3-21G Optimization
• 14:2514:25, 26 November 2012 diff hist +263 Rep:Mod:littleliana3 →1,5 hexadiene HF/3-21G Optimization
• 14:0214:02, 26 November 2012 diff hist +595 Rep:Mod:littleliana3 →1,5 hexadiene HF/3-21G Optimization