User contributions for Wyc08
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21 March 2011
- 00:3200:32, 21 March 2011 diff hist 0 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 00:3100:31, 21 March 2011 diff hist +32 Rep:Mod:wyc08mod3 →Module 3: Transition States and Reactivity
20 March 2011
- 18:5318:53, 20 March 2011 diff hist +1,330 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 18:3418:34, 20 March 2011 diff hist +98 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 18:3318:33, 20 March 2011 diff hist 0 N File:React anti optimisation(anti2DFT) label atoms.png No edit summary current
- 18:2718:27, 20 March 2011 diff hist +1 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 18:2518:25, 20 March 2011 diff hist +1,851 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 17:5017:50, 20 March 2011 diff hist +503 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 17:4917:49, 20 March 2011 diff hist 0 N File:REAC ANTI OPTIMISATION (ANTI2DFT631G) FREQ.LOG No edit summary current
- 17:3217:32, 20 March 2011 diff hist +1,196 Rep:Mod:wyc08mod3 →Optimising the Reactants and Products at the B3LYP/6-31G* level
- 17:2717:27, 20 March 2011 diff hist 0 N File:Reac anti optimisation (DFT631G).mol No edit summary current
- 17:2717:27, 20 March 2011 diff hist 0 N File:React anti optimisation(anti2).mol No edit summary current
- 17:1617:16, 20 March 2011 diff hist +307 Rep:Mod:wyc08mod3 →The Cope rearrangement
- 17:0817:08, 20 March 2011 diff hist +554 Rep:Mod:wyc08mod3 →The Cope rearrangement
- 13:5213:52, 20 March 2011 diff hist +8 Rep:Mod:wyc08mod3 →The Cope rearrangement
- 13:4913:49, 20 March 2011 diff hist 0 N File:Summaries.png No edit summary current
18 March 2011
- 14:5014:50, 18 March 2011 diff hist +668 Rep:Mod:wyc08mod3 →The Cope rearrangement
- 14:3614:36, 18 March 2011 diff hist +361 Rep:Mod:wyc08mod3 →Objectives
- 14:2214:22, 18 March 2011 diff hist −17 Rep:Mod:wyc08mod3 →The Cope rearrangement
17 March 2011
- 17:0617:06, 17 March 2011 diff hist +105 N Rep:Mod:wyc08mod3 New page: =Module 3: Transition States and Reactivity= ==Objectives== ==The Cope rearrangement== In this section
15 March 2011
- 16:1716:17, 15 March 2011 diff hist −4 Rep:Mod:wyc08mod2 →MO analysis
- 16:1516:15, 15 March 2011 diff hist +33 Rep:Mod:wyc08mod2 →Module 2: Bonding (Ab initio and density functional molecular orbital
- 16:1316:13, 15 March 2011 diff hist +67 Rep:Mod:wyc08mod2 →NBO analysis
- 16:0716:07, 15 March 2011 diff hist +16 Rep:Mod:wyc08mod2 →Vibrational analysis
- 16:0316:03, 15 March 2011 diff hist −1 Rep:Mod:wyc08mod2 →Vibrational analysis
- 15:5415:54, 15 March 2011 diff hist −1 Rep:Mod:wyc08mod2 →MO analysis
- 15:4615:46, 15 March 2011 diff hist +147 Rep:Mod:wyc08mod2 →MO analysis
- 15:4315:43, 15 March 2011 diff hist +622 Rep:Mod:wyc08mod2 →MO analysis
- 15:2415:24, 15 March 2011 diff hist +505 Rep:Mod:wyc08mod2 →MO analysis
- 15:2315:23, 15 March 2011 diff hist 0 N File:N(SiH3)3 opt 3rd trial 6-31g(d,p) MO.fchk No edit summary current
- 15:0915:09, 15 March 2011 diff hist +93 Rep:Mod:wyc08mod2 →MO analysis
- 15:0315:03, 15 March 2011 diff hist +240 Rep:Mod:wyc08mod2 →NBO analysis
- 15:0115:01, 15 March 2011 diff hist 0 Rep:Mod:wyc08mod2 →NBO analysis
- 15:0015:00, 15 March 2011 diff hist +23 Rep:Mod:wyc08mod2 →NBO analysis
- 14:5914:59, 15 March 2011 diff hist +371 Rep:Mod:wyc08mod2 →NBO analysis
- 14:4914:49, 15 March 2011 diff hist 0 N File:Nbod.png No edit summary current
- 14:4614:46, 15 March 2011 diff hist +1 Rep:Mod:wyc08mod2 →Vibrational analysis
- 14:4614:46, 15 March 2011 diff hist 0 Rep:Mod:wyc08mod2 →Vibrational analysis
- 14:4514:45, 15 March 2011 diff hist 0 Rep:Mod:wyc08mod2 →Vibrational analysis
- 14:4414:44, 15 March 2011 diff hist −1 Rep:Mod:wyc08mod2 →NBO analysis
- 14:4314:43, 15 March 2011 diff hist +263 Rep:Mod:wyc08mod2 →NBO analysis
- 14:4214:42, 15 March 2011 diff hist 0 N File:Nbo.png No edit summary current
- 14:3414:34, 15 March 2011 diff hist +197 Rep:Mod:wyc08mod2 →NBO analysis
- 14:3414:34, 15 March 2011 diff hist 0 N File:Numbers.png No edit summary current
- 14:3214:32, 15 March 2011 diff hist 0 N File:Atoms colour change.png No edit summary current
- 14:3114:31, 15 March 2011 diff hist −785 Rep:Mod:wyc08mod2 →NBO analysis
- 13:5913:59, 15 March 2011 diff hist +65 Rep:Mod:wyc08mod2 →NBO analysis
- 13:5813:58, 15 March 2011 diff hist −22 Rep:Mod:wyc08mod2 →Part 3 Mini Project: Trimethylamine, Trimethylphosphine, Trisilylamine and Trisilylphosphine
- 13:5713:57, 15 March 2011 diff hist +914 Rep:Mod:wyc08mod2 →NBO analysis
- 13:5413:54, 15 March 2011 diff hist +129 Rep:Mod:wyc08mod2 →Vibrational analysis