User contributions for Mj506

10 December 2008

• 17:5017:50, 10 December 2008 diff hist 0 N File:Mj506 chair ts.JPG No edit summary current
• 17:4817:48, 10 December 2008 diff hist +158 Rep:Mod:mj506 mod3 →'''Boat transition structure'''
• 17:4717:47, 10 December 2008 diff hist +8 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:4617:46, 10 December 2008 diff hist +3 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:4417:44, 10 December 2008 diff hist +125 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:4217:42, 10 December 2008 diff hist +621 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:3017:30, 10 December 2008 diff hist 0 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:2917:29, 10 December 2008 diff hist −2 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:2617:26, 10 December 2008 diff hist −194 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:2117:21, 10 December 2008 diff hist +285 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 17:2017:20, 10 December 2008 diff hist +28 Rep:Mod:mj506 mod3 →'''Boat transition structure'''
• 17:0717:07, 10 December 2008 diff hist +454 Rep:Mod:mj506 mod3 →'''Intrinsic reaction coordinate method'''
• 16:5816:58, 10 December 2008 diff hist +60 Rep:Mod:mj506 mod3 →Activation energies of the Cope rearrangement
• 16:5316:53, 10 December 2008 diff hist +766 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 16:0416:04, 10 December 2008 diff hist +8 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 16:0416:04, 10 December 2008 diff hist +10 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 16:0416:04, 10 December 2008 diff hist +454 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 15:5315:53, 10 December 2008 diff hist +100 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 15:4015:40, 10 December 2008 diff hist +176 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 15:3915:39, 10 December 2008 diff hist +475 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 15:3715:37, 10 December 2008 diff hist 0 N File:Mj506 boat TS before calc.JPG No edit summary current
• 15:2015:20, 10 December 2008 diff hist +115 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 15:1915:19, 10 December 2008 diff hist +335 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 15:1915:19, 10 December 2008 diff hist 0 N File:Mj506 product reacant c6 anti2.JPG No edit summary current
• 14:5414:54, 10 December 2008 diff hist +561 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 14:3714:37, 10 December 2008 diff hist +456 Rep:Mod:mj506 mod3 →Optimizing the chair and boat transition states
• 14:2114:21, 10 December 2008 diff hist +732 Rep:Mod:mj506 mod3 No edit summary
• 00:2800:28, 10 December 2008 diff hist +551 Rep:Mod:mj506 mod3 →Cyclohexadiene tutorial
• 00:0700:07, 10 December 2008 diff hist +979 Rep:Mod:mj506 mod3 No edit summary

9 December 2008

• 23:4123:41, 9 December 2008 diff hist +745 Rep:Mod:mj506 mod3 No edit summary
• 23:2623:26, 9 December 2008 diff hist +428 Rep:Mod:mj506 mod3 No edit summary
• 23:0723:07, 9 December 2008 diff hist +298 N Rep:Mod:mj506 mod3 New page: == Module 3 == === Cyclohexadiene tutorial === The anti conformation of the molecule was optimized using Gaussian software using HF method with 3-21G basis set. Energy obtained was '''-231...
• 15:0415:04, 9 December 2008 diff hist +168 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄
• 15:0315:03, 9 December 2008 diff hist 0 N File:Mj506 mo 2 f12.JPG No edit summary current
• 14:4914:49, 9 December 2008 diff hist +20 Rep:Mod:mj506 mod2 →Log files for gaussian
• 14:4914:49, 9 December 2008 diff hist +421 Rep:Mod:mj506 mod2 →Log files for gaussian
• 14:4914:49, 9 December 2008 diff hist 0 N File:TIF4 OPT FREQ MO.LOG No edit summary current
• 14:4814:48, 9 December 2008 diff hist 0 N File:Ti3 f15 lanl2dz opt freq mo.out No edit summary current
• 14:4614:46, 9 December 2008 diff hist 0 N File:Ti3cl15 lanl2dz opt freq mo.out No edit summary current
• 14:4614:46, 9 December 2008 diff hist 0 N File:Ti3f12 lanl2dz opt freq mo.out No edit summary current
• 14:4514:45, 9 December 2008 diff hist +209 Rep:Mod:mj506 mod2 →Investigation of TiX₄
• 14:4514:45, 9 December 2008 diff hist 0 N File:Ti3cl12 lanl2dz opt freq mo.out No edit summary current
• 14:3714:37, 9 December 2008 diff hist +113 Rep:Mod:mj506 mod2 →Energies of formation and geometries of TiX₄

8 December 2008

• 22:4122:41, 8 December 2008 diff hist +656 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄
• 22:3222:32, 8 December 2008 diff hist 0 N File:Mj506 mo f12.JPG No edit summary current
• 15:0715:07, 8 December 2008 diff hist −4 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄
• 15:0615:06, 8 December 2008 diff hist +27 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄
• 15:0415:04, 8 December 2008 diff hist +663 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄
• 14:5514:55, 8 December 2008 diff hist +915 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄
• 14:4814:48, 8 December 2008 diff hist +117 Rep:Mod:mj506 mod2 →Solid state investigation into TiF₄ and TiCl₄