User contributions for Sds111

18 March 2014

• 14:2014:20, 18 March 2014 diff hist −49 Rep:Mod:CHEM121500122000 →Part 1: The Cope Rearrangement
• 14:1914:19, 18 March 2014 diff hist +333 Rep:Mod:CHEM121500122000 →Part 1: The Cope Rearrangement
• 13:5113:51, 18 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
• 13:4913:49, 18 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →IR Data
• 13:4813:48, 18 March 2014 diff hist +64 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
• 13:4813:48, 18 March 2014 diff hist +153 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
• 13:4713:47, 18 March 2014 diff hist +46 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
• 13:1713:17, 18 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
• 12:5612:56, 18 March 2014 diff hist +224 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
• 12:4812:48, 18 March 2014 diff hist +168 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
• 12:4812:48, 18 March 2014 diff hist 0 N File:CISBUTADIENE OPT+FREQ AM1.LOG No edit summary current
• 12:4612:46, 18 March 2014 diff hist 0 File:124225cisbutadienehomo.png uploaded a new version of "File:124225cisbutadienehomo.png" current
• 12:4612:46, 18 March 2014 diff hist 0 File:124225cisbutadienehomo.png uploaded a new version of "File:124225cisbutadienehomo.png"

17 March 2014

• 20:5520:55, 17 March 2014 diff hist +24 Rep:Mod:CHEM121500122000 →Yr 3 Physical Computational Module
• 20:5420:54, 17 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 →Part 1: The Cope Rearrangement
• 20:5420:54, 17 March 2014 diff hist +51 Rep:Mod:CHEM121500122000 →Part 2: Exercises
• 20:5320:53, 17 March 2014 diff hist −6 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 20:5120:51, 17 March 2014 diff hist +82 Rep:Mod:CHEM121500122000 →b) LUMO
• 20:4020:40, 17 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 20:4020:40, 17 March 2014 diff hist +745 Rep:Mod:CHEM121500122000 →Molecular Orbitals
• 20:2820:28, 17 March 2014 diff hist +337 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 20:1620:16, 17 March 2014 diff hist −258 Rep:Mod:CHEM121500122000 →Molecular Orbitals
• 20:1120:11, 17 March 2014 diff hist −36 Rep:Mod:CHEM121500122000 →Molecular Orbitals
• 20:0920:09, 17 March 2014 diff hist +711 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 19:5419:54, 17 March 2014 diff hist +163 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
• 19:5219:52, 17 March 2014 diff hist +533 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
• 19:0119:01, 17 March 2014 diff hist +9 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 19:0119:01, 17 March 2014 diff hist +196 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
• 18:5618:56, 17 March 2014 diff hist −51 Rep:Mod:CHEM121500122000 →(iv) What effects have been neglected in these calculations of Diels Alder transition states?
• 18:5618:56, 17 March 2014 diff hist +230 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
• 18:5218:52, 17 March 2014 diff hist +803 Rep:Mod:CHEM121500122000 No edit summary
• 18:4818:48, 17 March 2014 diff hist +137 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
• 18:3618:36, 17 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 18:3518:35, 17 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
• 18:3518:35, 17 March 2014 diff hist +3 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
• 18:3418:34, 17 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
• 18:3418:34, 17 March 2014 diff hist +11 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
• 18:3218:32, 17 March 2014 diff hist +3 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
• 18:3218:32, 17 March 2014 diff hist +3 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
• 18:3118:31, 17 March 2014 diff hist −117 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
• 18:3018:30, 17 March 2014 diff hist +260 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
• 18:1818:18, 17 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 →Part 2: Exercises
• 18:1818:18, 17 March 2014 diff hist +86 Rep:Mod:CHEM121500122000 →(iv) What effects have been neglected in these calculations of Diels Alder transition states?
• 18:1718:17, 17 March 2014 diff hist +83 Rep:Mod:CHEM121500122000 →(iii) Study of the regioselectivity of the Diels Alder Reaction
• 18:1718:17, 17 March 2014 diff hist +79 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
• 18:1618:16, 17 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 →Part 2: Exercises
• 18:1618:16, 17 March 2014 diff hist +173 Rep:Mod:CHEM121500122000 No edit summary
• 18:1418:14, 17 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
• 16:1616:16, 17 March 2014 diff hist +106 Rep:Mod:CHEM121500122000 →Molecular Orbitals
• 16:1216:12, 17 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS