User contributions for Dl2310
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3 December 2012
- 15:2115:21, 3 December 2012 diff hist 0 Rep:Mod3:DL2310 →Optimisation of 1,5 Hexadiene anti2 conformation to the DTF/6-31Gd level
- 15:1915:19, 3 December 2012 diff hist +1 Rep:Mod3:DL2310 →Conformational Analysis of 1,5 Hexadiene using the HF/3-21G basis set for optimisation
- 15:1815:18, 3 December 2012 diff hist +1,529 Rep:Mod3:DL2310 →Optimisation of 1,5 Hexadiene anti2 conformation to the DTF/6-31Gd level
- 15:1715:17, 3 December 2012 diff hist +183 Rep:Mod3:DL2310 →The Cope Rearrangement
- 15:1315:13, 3 December 2012 diff hist +500 Rep:Mod3:DL2310 →The Cope Rearrangement
- 15:1115:11, 3 December 2012 diff hist 0 N File:CoperearrangementDL2310.png No edit summary current
- 15:0915:09, 3 December 2012 diff hist 0 File:Cope rearrangement.png uploaded a new version of "File:Cope rearrangement.png"
- 14:4714:47, 3 December 2012 diff hist +2,045 Rep:Mod3:DL2310 No edit summary
- 14:1514:15, 3 December 2012 diff hist 0 N File:PESDL2310.jpeg No edit summary current
1 December 2012
- 13:5613:56, 1 December 2012 diff hist +411 N Rep:Mod3:DL2310 Created page with "==Introduction to Module 3== ==The Cope Rearrangement Tutorial== ===Hexadiene=== Hexadiene can adopt several conformations and all are not of the same energy. In this section, s..."
26 November 2012
- 14:2414:24, 26 November 2012 diff hist +146 Rep:Mod3:Ishouldnotbetrustedwithcomputers →Frequency Analysis of Hexadiene in its anti 2 conformation
- 14:1014:10, 26 November 2012 diff hist +269 Rep:Mod3:Ishouldnotbetrustedwithcomputers →Hexadiene
- 14:0814:08, 26 November 2012 diff hist −12 Rep:Mod3:Ishouldnotbetrustedwithcomputers →The Cope Rearrangement Tutorial
- 14:0714:07, 26 November 2012 diff hist +97 Rep:Mod3:Ishouldnotbetrustedwithcomputers →Introduction to Module 3
- 14:0314:03, 26 November 2012 diff hist +777 Rep:Mod3:Ishouldnotbetrustedwithcomputers No edit summary
- 13:5213:52, 26 November 2012 diff hist +1,662 Rep:Mod3:Ishouldnotbetrustedwithcomputers →MOD3
- 13:2613:26, 26 November 2012 diff hist +68 N Rep:Mod3:Ishouldnotbetrustedwithcomputers Created page with "==MOD3== ===Cosse=== trial 1 C2 trial 2 C1 Trial 3 fail trial 4 Ci"
23 November 2012
- 15:2015:20, 23 November 2012 diff hist +1,565 Rep:Mod:dl2310Module2 →Comparison of the two compounds' HOMO and LUMO
- 15:0115:01, 23 November 2012 diff hist +1,818 Rep:Mod:dl2310Module2 →Comparison of the two compounds' HOMO and LUMO
- 14:5714:57, 23 November 2012 diff hist 0 N File:CN HOMO MOnew.png No edit summary current
- 14:4214:42, 23 November 2012 diff hist +2 Rep:Mod:dl2310Module2 →The effect of the OH and CN groups
- 14:4114:41, 23 November 2012 diff hist +659 Rep:Mod:dl2310Module2 →The effect of the OH and CN groups
- 14:2714:27, 23 November 2012 diff hist +1,589 Rep:Mod:dl2310Module2 →Comparison of the two compounds' HOMO and LUMO
- 14:1214:12, 23 November 2012 diff hist 0 N File:CN HOMO MO.png No edit summary current
- 14:0814:08, 23 November 2012 diff hist +597 Rep:Mod:dl2310Module2 →Comparison of the two compounds' HOMO and LUMO
- 14:0714:07, 23 November 2012 diff hist 0 N File:OH HOMO MO.png No edit summary current
- 14:0614:06, 23 November 2012 diff hist 0 N File:OH LUMO MO.png No edit summary current
- 14:0314:03, 23 November 2012 diff hist 0 N File:CN LUMO MO.png No edit summary current
- 14:0214:02, 23 November 2012 diff hist 0 N File:HOMO MO.png No edit summary current
- 14:0114:01, 23 November 2012 diff hist 0 N File:HOMO MO.tif No edit summary current
- 13:5113:51, 23 November 2012 diff hist +32 Rep:Mod:dl2310Module2 →6-31G (d,p) Optimisation
- 13:5113:51, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →3-21G Optimisation
- 13:5113:51, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →6-31G (d,p) Optimisation
- 13:5113:51, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →3-21G Optimisation
- 13:5013:50, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →6-31G d,p
- 13:5013:50, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →3-21G
- 13:5013:50, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →6-31G d,p
- 13:5013:50, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →3-21G
- 13:5013:50, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →6-31G d,p
- 13:4913:49, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →3-21G Optimisation of the Ion
- 13:4913:49, 23 November 2012 diff hist +32 Rep:Mod:dl2310Module2 →Optimisation of the molecule using the 6-31G d,p basis set
- 13:4913:49, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →Optimisation of the molecule using the 3-21G basis set
- 13:4913:49, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →Optimisation of the molecule
- 13:4913:49, 23 November 2012 diff hist +4 Rep:Mod:dl2310Module2 →Comparison between BH3 and TlBr3
- 13:4813:48, 23 November 2012 diff hist +32 Rep:Mod:dl2310Module2 →Pseudo-Potential Calculations
- 13:4813:48, 23 November 2012 diff hist 0 Rep:Mod:dl2310Module2 →The 6-31G (p,d) Optimisation
- 13:4813:48, 23 November 2012 diff hist 0 Rep:Mod:dl2310Module2 →The B3YLP 3-21G Optimisation
- 13:4713:47, 23 November 2012 diff hist 0 Rep:Mod:dl2310Module2 →BBr3
- 13:4713:47, 23 November 2012 diff hist +33 Rep:Mod:dl2310Module2 →The 6-31G (p,d) Optimisation
- 13:4613:46, 23 November 2012 diff hist +34 Rep:Mod:dl2310Module2 →The B3YLP 3-21G Optimisation