User contributions for Kr411

24 October 2013

• 12:0212:02, 24 October 2013 diff hist +63 Rep:Mod:KRMP →Optimizing the "Chair" and "Boat" Transition Structures
• 11:5811:58, 24 October 2013 diff hist −4 Rep:Mod:KRMP →Optimizing the "Chair" and "Boat" Transition Structures
• 11:5311:53, 24 October 2013 diff hist +413 Rep:Mod:KRMP →Optimizing the "Chair" and "Boat" Transition Structures
• 11:3411:34, 24 October 2013 diff hist 0 N File:ALLYL FRAG OPT.mol No edit summary current
• 11:2911:29, 24 October 2013 diff hist 0 N File:ALLYL FRAG OPT.LOG No edit summary current
• 11:2711:27, 24 October 2013 diff hist +306 Rep:Mod:KRMP →Frequency Analysis
• 11:2211:22, 24 October 2013 diff hist −2 Rep:Mod:KRMP →Ci anti 2 1,5-hexadiene
• 11:2211:22, 24 October 2013 diff hist +1 Rep:Mod:KRMP →Optimisation and Frequency Analysis
• 11:2211:22, 24 October 2013 diff hist −2 Rep:Mod:KRMP →The Cope Rearrangement Tutorial
• 11:1911:19, 24 October 2013 diff hist +847 Rep:Mod:KRMP →Frequency Analysis
• 10:5310:53, 24 October 2013 diff hist +1 Rep:Mod:KRMP →Anti 2 Geometry Comparison
• 10:5310:53, 24 October 2013 diff hist +1 Rep:Mod:KRMP →Ci anti 2 1,5-hexadiene
• 10:4810:48, 24 October 2013 diff hist +3 Rep:Mod:KRMP →Structure comparison

23 October 2013

• 17:2417:24, 23 October 2013 diff hist 0 N File:REACT ANTI(2)(6-31G(D)) FREQ.LOG No edit summary current
• 17:2417:24, 23 October 2013 diff hist +324 Rep:Mod:KRMP →Anti 2 Geometry Comparison
• 17:1617:16, 23 October 2013 diff hist +1,512 Rep:Mod:KRMP →Ci anti 2 1,5-hexadiene
• 16:5816:58, 23 October 2013 diff hist 0 N File:1-5, hexadiene anti 2 atomic numbering.jpg No edit summary current
• 16:5116:51, 23 October 2013 diff hist 0 N File:REACT ANTI(2)(6-31G(D)).LOG No edit summary current
• 16:2816:28, 23 October 2013 diff hist +1,002 Rep:Mod:KRMP →Optimisation and Frequency Analysis
• 16:2716:27, 23 October 2013 diff hist 0 N File:REACT ANTI(2).LOG No edit summary current
• 16:0416:04, 23 October 2013 diff hist 0 N File:1-5, hexadiene gauche.jpg No edit summary current
• 15:5815:58, 23 October 2013 diff hist 0 N File:1-5, hexadiene anti.jpg No edit summary current

21 October 2013

• 15:4815:48, 21 October 2013 diff hist +327 Rep:Mod:KRMP →Optimisation and Frequency Analysis
• 15:3815:38, 21 October 2013 diff hist +633 Rep:Mod:KRMP →Optimisation and Frequency Analysis
• 15:1515:15, 21 October 2013 diff hist 0 File:REACT GAUCHE.LOG uploaded a new version of "File:REACT GAUCHE.LOG"
• 15:1215:12, 21 October 2013 diff hist 0 File:REACT ANTI.LOG uploaded a new version of "File:REACT ANTI.LOG"
• 15:0015:00, 21 October 2013 diff hist +8 Rep:Mod:KRMP →Optimisation and Frequency Analysis
• 14:5914:59, 21 October 2013 diff hist +606 N Rep:Mod:KRMP Created page with "===The Cope Rearrangement Tutorial=== ====Optimisation and Frequency Analysis==== In this first part of the project, a molecule of 1,5-hexadiene undergoing the Cope rearrangement..."

18 October 2013

• 13:4813:48, 18 October 2013 diff hist −2 Rep:Mod:KRM →Conclusion
• 13:4813:48, 18 October 2013 diff hist +4 Rep:Mod:KRM →HOMO/LUMO Comparison
• 13:4713:47, 18 October 2013 diff hist +516 Rep:Mod:KRM →References
• 13:3913:39, 18 October 2013 diff hist +2 Rep:Mod:KRM →HOMO/LUMO Comparison
• 13:3813:38, 18 October 2013 diff hist +2 Rep:Mod:KRM →NBO Charge Analysis
• 13:3813:38, 18 October 2013 diff hist +2 Rep:Mod:KRM →Charge Distribution Images
• 13:3813:38, 18 October 2013 diff hist +2 Rep:Mod:KRM →MO and NBO analysis
• 13:3713:37, 18 October 2013 diff hist +26 Rep:Mod:KRM →[N(CH3)4]+ MO Visualisation
• 13:3513:35, 18 October 2013 diff hist +2 Rep:Mod:KRM →Charge Distribution Analysis
• 13:3413:34, 18 October 2013 diff hist −1,782 Rep:Mod:KRM →NBO Charge Distribution Analysis
• 13:3413:34, 18 October 2013 diff hist +1,782 Rep:Mod:KRM →Charge Distribution Images
• 13:3213:32, 18 October 2013 diff hist +2 Rep:Mod:KRM →[S(CH3)3]+
• 13:3213:32, 18 October 2013 diff hist −10 Rep:Mod:KRM →Geometry Analysis
• 13:3213:32, 18 October 2013 diff hist +2 Rep:Mod:KRM →[P(CH3)4]+
• 13:3113:31, 18 October 2013 diff hist −5 Rep:Mod:KRM →Ionic Liquids: Desginer Solvents Mini Project
• 13:3113:31, 18 October 2013 diff hist +2 Rep:Mod:KRM →[N(CH3)4]+
• 13:3013:30, 18 October 2013 diff hist +2 Rep:Mod:KRM →Geometry Analysis
• 13:3013:30, 18 October 2013 diff hist −4 Rep:Mod:KRM →[S(CH3)3]+
• 13:3013:30, 18 October 2013 diff hist +2 Rep:Mod:KRM →[S(CH3)3]+
• 13:2913:29, 18 October 2013 diff hist −4 Rep:Mod:KRM →[P(CH3)4]+
• 13:2913:29, 18 October 2013 diff hist −3 Rep:Mod:KRM →[P(CH3)4]+
• 13:2913:29, 18 October 2013 diff hist +42 Rep:Mod:KRM →[N(CH3)4]+