User contributions for Sds111
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21 March 2014
- 15:2215:22, 21 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 No edit summary
- 15:1915:19, 21 March 2014 diff hist +133 Rep:Mod:CHEM121500122000 →Questions
- 15:1715:17, 21 March 2014 diff hist +267 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 14:2214:22, 21 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →Questions
- 14:2014:20, 21 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →Questions
- 14:2014:20, 21 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →Questions
- 14:1914:19, 21 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →Questions
- 14:1914:19, 21 March 2014 diff hist +602 Rep:Mod:CHEM121500122000 →Questions
- 14:1014:10, 21 March 2014 diff hist +386 Rep:Mod:CHEM121500122000 No edit summary
- 11:5611:56, 21 March 2014 diff hist +15 Rep:Mod:CHEM121500122000 →Questions
- 11:5111:51, 21 March 2014 diff hist +413 Rep:Mod:CHEM121500122000 No edit summary
- 11:1211:12, 21 March 2014 diff hist −7 Rep:Mod:CHEM121500122000 No edit summary
- 11:1111:11, 21 March 2014 diff hist +21 Rep:Mod:CHEM121500122000 No edit summary
- 11:0211:02, 21 March 2014 diff hist +51 Rep:Mod:CHEM121500122000 →(iv) What effects have been neglected in these calculations of Diels Alder transition states?
- 11:0111:01, 21 March 2014 diff hist +839 Rep:Mod:CHEM121500122000 →(iv) What effects have been neglected in these calculations of Diels Alder transition states?
- 10:4010:40, 21 March 2014 diff hist +6 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 10:3410:34, 21 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 10:3410:34, 21 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 10:2910:29, 21 March 2014 diff hist +14 Rep:Mod:CHEM121500122000 →1. Running a minimization from the last point on the IRC
- 10:2810:28, 21 March 2014 diff hist +35 Rep:Mod:CHEM121500122000 →1. Running a minimization from the last point on the IRC
- 10:2610:26, 21 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
- 10:2210:22, 21 March 2014 diff hist +43 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 10:2010:20, 21 March 2014 diff hist +40 Rep:Mod:CHEM121500122000 →Comparison between the HF/3-21G and B3LYP/6-31G* levels of theory.
- 10:1710:17, 21 March 2014 diff hist +13 Rep:Mod:CHEM121500122000 →Comparison between the HF/3-21G and B3LYP/6-31G* levels of theory.
- 10:1510:15, 21 March 2014 diff hist +15 Rep:Mod:CHEM121500122000 →Questions
- 10:1210:12, 21 March 2014 diff hist +27 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
20 March 2014
- 22:1822:18, 20 March 2014 diff hist +160 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
- 21:4121:41, 20 March 2014 diff hist −24 Rep:Mod:CHEM121500122000 →Questions
- 21:4021:40, 20 March 2014 diff hist −30 Rep:Mod:CHEM121500122000 →Questions
- 21:3921:39, 20 March 2014 diff hist +233 Rep:Mod:CHEM121500122000 →Questions
- 21:3421:34, 20 March 2014 diff hist +217 Rep:Mod:CHEM121500122000 →Questions
- 15:3015:30, 20 March 2014 diff hist +428 Rep:Mod:CHEM121500122000 →Questions
- 15:2815:28, 20 March 2014 diff hist 0 N File:Nciexo2.png No edit summary current
- 15:2815:28, 20 March 2014 diff hist 0 N File:Nciexo1.png No edit summary current
- 15:2815:28, 20 March 2014 diff hist 0 N File:Nciendo2.png No edit summary current
- 15:2815:28, 20 March 2014 diff hist 0 N File:Nciendo1.png No edit summary current
- 15:1815:18, 20 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →(iii) Study of the regioselectivity of the Diels Alder Reaction
- 15:1315:13, 20 March 2014 diff hist −257 Rep:Mod:CHEM121500122000 →b) LUMO
- 15:1315:13, 20 March 2014 diff hist −259 Rep:Mod:CHEM121500122000 →a) HOMO
- 15:1115:11, 20 March 2014 diff hist 0 File:124225LUMOView3.png uploaded a new version of "File:124225LUMOView3.png" current
- 15:1115:11, 20 March 2014 diff hist 0 File:124225LUMOView2.png uploaded a new version of "File:124225LUMOView2.png" current
- 15:1115:11, 20 March 2014 diff hist 0 File:124225LUMOView1.png uploaded a new version of "File:124225LUMOView1.png" current
- 15:1115:11, 20 March 2014 diff hist 0 File:124225HOMOView3.png uploaded a new version of "File:124225HOMOView3.png" current
- 15:1115:11, 20 March 2014 diff hist 0 File:124225HOMOView2.png uploaded a new version of "File:124225HOMOView2.png" current
- 15:1115:11, 20 March 2014 diff hist 0 File:124225HOMOView1.png uploaded a new version of "File:124225HOMOView1.png" current
- 15:0615:06, 20 March 2014 diff hist +210 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 15:0615:06, 20 March 2014 diff hist 0 N File:TSCALC BERNY DA AM1 321G V5.LOG No edit summary current
- 14:5414:54, 20 March 2014 diff hist +7 Rep:Mod:CHEM121500122000 →Questions
- 14:5414:54, 20 March 2014 diff hist +83 Rep:Mod:CHEM121500122000 →Questions
- 14:5314:53, 20 March 2014 diff hist 0 N File:124225endomovie44680.gif No edit summary current