User contributions for Abc08

27 October 2012

• 10:5910:59, 27 October 2012 diff hist 0 N File:Abc cis butadiene mo16.png No edit summary current
• 10:5910:59, 27 October 2012 diff hist 0 N File:Abc cis butadiene mo15.png No edit summary current
• 10:5910:59, 27 October 2012 diff hist 0 N File:Abc ethene mo9.png No edit summary current
• 10:5910:59, 27 October 2012 diff hist 0 N File:Abc ethene mo8.png No edit summary current

26 October 2012

• 22:4322:43, 26 October 2012 diff hist +3 Rep:Mod:abcmod3 No edit summary
• 22:4222:42, 26 October 2012 diff hist +609 Rep:Mod:abcmod3 →Analysis of Transition States
• 22:3522:35, 26 October 2012 diff hist +281 Rep:Mod:abcmod3 →Analysis of Reactants
• 21:5321:53, 26 October 2012 diff hist −32 Rep:Mod:abcmod3 No edit summary
• 21:4921:49, 26 October 2012 diff hist +474 Rep:Mod:abcmod3 →The Diels-Alder Reaction

25 October 2012

• 23:0723:07, 25 October 2012 diff hist +40 Rep:Mod:abcmod3 →Optimisation
• 23:0123:01, 25 October 2012 diff hist +9 Rep:Mod:abcmod3 →The Cope Rearrangement
• 22:5822:58, 25 October 2012 diff hist +32 Rep:Mod:abcmod3 No edit summary
• 22:5522:55, 25 October 2012 diff hist +1,364 Rep:Mod:abcmod3 →Activation Energies
• 22:4322:43, 25 October 2012 diff hist +266 Rep:Mod:abcmod3 →Activation Energies
• 22:3722:37, 25 October 2012 diff hist +2,484 Rep:Mod:abcmod3 No edit summary
• 18:4318:43, 25 October 2012 diff hist +1,119 Rep:Mod:abcmod3 No edit summary
• 18:1418:14, 25 October 2012 diff hist +581 Rep:Mod:abcmod3 No edit summary
• 17:4517:45, 25 October 2012 diff hist +641 Rep:Mod:abcmod3 No edit summary
• 15:3815:38, 25 October 2012 diff hist +5 Rep:Mod:abcmod3 No edit summary
• 15:3715:37, 25 October 2012 diff hist +4,645 Rep:Mod:abcmod3 No edit summary

24 October 2012

• 19:1919:19, 24 October 2012 diff hist +3,243 N Rep:Mod:abcmod3 Created page with "<u>'''Year 3 Computational Lab'''</u> Alex Cook 00555113 Module 3: Transition States and Reactivity. This experiment involves the study of transition structures, specifically ..."

19 October 2012

• 16:0216:02, 19 October 2012 diff hist +174 Rep:Mod:abcmod2 →Vibrational analysis
• 15:5415:54, 19 October 2012 diff hist −87 Rep:Mod:abcmod2 →Vibrational analysis
• 15:5215:52, 19 October 2012 diff hist +591 Rep:Mod:abcmod2 →Vibrational analysis
• 15:3115:31, 19 October 2012 diff hist −45 Rep:Mod:abcmod2 →Vibrational analysis
• 15:2815:28, 19 October 2012 diff hist −3 Rep:Mod:abcmod2 →Molecular orbital analysis
• 15:2815:28, 19 October 2012 diff hist 0 N File:Abc08 NH3 MO.LOG No edit summary current
• 15:1115:11, 19 October 2012 diff hist +43 Rep:Mod:abcmod2 →NBO Analysis
• 15:0915:09, 19 October 2012 diff hist +44 Rep:Mod:abcmod2 →Molecular orbital analysis
• 15:0815:08, 19 October 2012 diff hist +92 Rep:Mod:abcmod2 →Optimisation
• 15:0615:06, 19 October 2012 diff hist −372 Rep:Mod:abcmod2 →Optimisation
• 15:0515:05, 19 October 2012 diff hist +243 Rep:Mod:abcmod2 →Molecular orbital analysis
• 14:5814:58, 19 October 2012 diff hist +58 Rep:Mod:abcmod2 →Optimisation
• 14:5214:52, 19 October 2012 diff hist −150 Rep:Mod:abcmod2 →6-31G(d,p) basis set
• 14:4614:46, 19 October 2012 diff hist −33 Rep:Mod:abcmod2 →3-21G basis set
• 14:4514:45, 19 October 2012 diff hist +67 Rep:Mod:abcmod2 →3-21G basis set
• 14:2214:22, 19 October 2012 diff hist +467 Rep:Mod:abcmod2 No edit summary
• 14:1314:13, 19 October 2012 diff hist +173 Rep:Mod:abcmod2 No edit summary
• 14:0014:00, 19 October 2012 diff hist −213 Rep:Mod:abcmod2 →Vibrational analysis
• 13:5813:58, 19 October 2012 diff hist −47 Rep:Mod:abcmod2 →Vibrational analysis
• 13:5613:56, 19 October 2012 diff hist −1 Rep:Mod:abcmod2 →Molecular orbital analysis
• 13:5313:53, 19 October 2012 diff hist −38 Rep:Mod:abcmod2 →3-21G basis set
• 13:5113:51, 19 October 2012 diff hist +161 Rep:Mod:abcmod2 →NBO Analysis
• 13:4813:48, 19 October 2012 diff hist +3 Rep:Mod:abcmod2 No edit summary
• 13:4213:42, 19 October 2012 diff hist −588 Rep:Mod:abcmod2 →TlBr3
• 13:3313:33, 19 October 2012 diff hist +332 Rep:Mod:abcmod2 →Al2Cl2Br4 Dissociation
• 13:2613:26, 19 October 2012 diff hist +149 Rep:Mod:abcmod2 →NH3BH3 Dissociation
• 13:2213:22, 19 October 2012 diff hist −1,889 Rep:Mod:abcmod2 →NH3
• 12:2812:28, 19 October 2012 diff hist +585 Rep:Mod:abcmod2 →Trigonal planar comparrison

18 October 2012

• 22:4822:48, 18 October 2012 diff hist +200 Rep:Mod:abcmod2 →Molecular orbital analysis