User contributions for Lkr09
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8 December 2011
- 18:0818:08, 8 December 2011 diff hist 0 Rep:Mod:strawberrycheesecake →Optimisation with the HF/ method and 3-21G basis set
- 18:0518:05, 8 December 2011 diff hist −1 Rep:Mod:strawberrycheesecake →Optimisation with the HF/ method and 3-21G basis set
- 18:0518:05, 8 December 2011 diff hist +19 Rep:Mod:strawberrycheesecake →Frequency analysis
- 18:0418:04, 8 December 2011 diff hist +1,075 Rep:Mod:strawberrycheesecake →Frequency analysis
- 18:0118:01, 8 December 2011 diff hist 0 N File:LKR GAUCHE6.LOG No edit summary current
- 18:0118:01, 8 December 2011 diff hist 0 File:Lkr gauche6.png uploaded a new version of "File:Lkr gauche6.png" current
- 18:0118:01, 8 December 2011 diff hist 0 N File:LKR GAUCHE5.LOG No edit summary current
- 18:0018:00, 8 December 2011 diff hist 0 N File:Lkr gauche6.png No edit summary
- 18:0018:00, 8 December 2011 diff hist 0 N File:Lkr gauche5.png No edit summary current
- 17:3617:36, 8 December 2011 diff hist +1 Rep:Mod:strawberrycheesecake →Optimisation with the HF/ method and 3-21G basis set
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr gauche4.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr gauche3.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr gauche2.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr gauche1.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr anti4.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr anti3.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr anti2.png No edit summary current
- 17:3517:35, 8 December 2011 diff hist 0 N File:Lkr anti1.png No edit summary current
- 17:2717:27, 8 December 2011 diff hist 0 N File:Lkr anti1 IR.svg No edit summary current
- 17:2717:27, 8 December 2011 diff hist 0 N File:Lkr anti2 IR.svg No edit summary current
- 17:2717:27, 8 December 2011 diff hist 0 N File:Lkr gauche3 IR.svg No edit summary current
- 17:2417:24, 8 December 2011 diff hist +91 Rep:Mod:strawberrycheesecake →Optimisation with the HF/ method and 3-21G basis set
- 17:2217:22, 8 December 2011 diff hist 0 N File:LKR GAUCHE4.LOG No edit summary current
- 17:2217:22, 8 December 2011 diff hist 0 N File:LKR GAUCHE3V2 FREQ.LOG No edit summary current
- 17:2217:22, 8 December 2011 diff hist 0 N File:LKR GAUCHE3V2.LOG No edit summary
- 17:2217:22, 8 December 2011 diff hist 0 N File:LKR GAUCHE3.LOG No edit summary current
- 17:2217:22, 8 December 2011 diff hist 0 N File:LKR GAUCHE2.LOG No edit summary current
- 17:2217:22, 8 December 2011 diff hist 0 N File:LKR GAUCHE1.LOG No edit summary current
- 17:2117:21, 8 December 2011 diff hist +725 Rep:Mod:strawberrycheesecake →Optimisation with the HF/ method and 3-21G basis set
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI4.LOG No edit summary current
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI3.LOG No edit summary current
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI2V2 FREQ.LOG No edit summary current
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI2V2.LOG No edit summary
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI2.LOG No edit summary current
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI1V2 FREQ.LOG No edit summary current
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI1V2.LOG No edit summary
- 17:1817:18, 8 December 2011 diff hist 0 N File:LKR ANTI.LOG No edit summary current
- 16:5716:57, 8 December 2011 diff hist +10 Rep:Mod:strawberrycheesecake →Optimisation with the HF/ method and 3-21G basis set
- 16:5616:56, 8 December 2011 diff hist +2,031 N Rep:Mod:strawberrycheesecake Created page with "Anti 1 : -231.6926 au Gauche 1 : -231.69513 au Gauche 2 : -231.69167 au Gauche 3 : Gauche 4 : ==Optimisation with the HF/ method and 3-21G basis set== {| border="1" cellpadding..."
6 December 2011
- 18:0318:03, 6 December 2011 diff hist +2,734 Rep:Mod:cinnamonroll →Mini-Project
- 17:5817:58, 6 December 2011 diff hist 0 N File:Lkr b3 numbering.png No edit summary current
- 17:3717:37, 6 December 2011 diff hist 0 N File:Lkr B3 IR exp.jpg No edit summary current
- 16:5916:59, 6 December 2011 diff hist −70 Rep:Mod:cinnamonroll →Frequency analysis with the B3LYP method and 6-311G(d,p) basis set
- 16:5916:59, 6 December 2011 diff hist +334 Rep:Mod:cinnamonroll →Frequency analysis with the B3LYP method and 6-311G(d,p) basis set
- 16:5416:54, 6 December 2011 diff hist −565 Rep:Mod:cinnamonroll →Mini-Project
- 16:4716:47, 6 December 2011 diff hist +47 Rep:Mod:cinnamonroll →Frequency analysis with B3LYP method and LANL2DZ basis set
- 16:4416:44, 6 December 2011 diff hist +43 Rep:Mod:cinnamonroll →Optimisation with B3LYP method and LANL2DZ basis set
- 16:4216:42, 6 December 2011 diff hist 0 Rep:Mod:cinnamonroll →Optimisation with B3LYP method and LANL2MB basis set
- 16:4216:42, 6 December 2011 diff hist −1,014 Rep:Mod:cinnamonroll →Optimisation with B3LYP method and LANL2MB basis set
- 16:4016:40, 6 December 2011 diff hist −4 Rep:Mod:cinnamonroll →NBO analysis and charge distribution