User contributions
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- 18:50, 10 December 2008 (diff | hist) . . (0) . . N File:Mj506 chair ts.JPG (current)
- 18:48, 10 December 2008 (diff | hist) . . (+158) . . Mod:mj506 mod3 (→'''Boat transition structure''')
- 18:47, 10 December 2008 (diff | hist) . . (+8) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:46, 10 December 2008 (diff | hist) . . (+3) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:44, 10 December 2008 (diff | hist) . . (+125) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:42, 10 December 2008 (diff | hist) . . (+621) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:30, 10 December 2008 (diff | hist) . . (0) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:29, 10 December 2008 (diff | hist) . . (-2) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:26, 10 December 2008 (diff | hist) . . (-194) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:21, 10 December 2008 (diff | hist) . . (+285) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 18:20, 10 December 2008 (diff | hist) . . (+28) . . Mod:mj506 mod3 (→'''Boat transition structure''')
- 18:07, 10 December 2008 (diff | hist) . . (+454) . . Mod:mj506 mod3 (→'''Intrinsic reaction coordinate method''')
- 17:58, 10 December 2008 (diff | hist) . . (+60) . . Mod:mj506 mod3 (→Activation energies of the Cope rearrangement)
- 17:53, 10 December 2008 (diff | hist) . . (+766) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 17:04, 10 December 2008 (diff | hist) . . (+8) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 17:04, 10 December 2008 (diff | hist) . . (+10) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 17:04, 10 December 2008 (diff | hist) . . (+454) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 16:53, 10 December 2008 (diff | hist) . . (+100) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 16:40, 10 December 2008 (diff | hist) . . (+176) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 16:39, 10 December 2008 (diff | hist) . . (+475) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 16:37, 10 December 2008 (diff | hist) . . (0) . . N File:Mj506 boat TS before calc.JPG (current)
- 16:20, 10 December 2008 (diff | hist) . . (+115) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 16:19, 10 December 2008 (diff | hist) . . (+335) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 16:19, 10 December 2008 (diff | hist) . . (0) . . N File:Mj506 product reacant c6 anti2.JPG (current)
- 15:54, 10 December 2008 (diff | hist) . . (+561) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 15:37, 10 December 2008 (diff | hist) . . (+456) . . Mod:mj506 mod3 (→Optimizing the chair and boat transition states)
- 15:21, 10 December 2008 (diff | hist) . . (+732) . . Mod:mj506 mod3
- 01:28, 10 December 2008 (diff | hist) . . (+551) . . Mod:mj506 mod3 (→Cyclohexadiene tutorial)
- 01:07, 10 December 2008 (diff | hist) . . (+979) . . Mod:mj506 mod3
- 00:41, 10 December 2008 (diff | hist) . . (+745) . . Mod:mj506 mod3
- 00:26, 10 December 2008 (diff | hist) . . (+428) . . Mod:mj506 mod3
- 00:07, 10 December 2008 (diff | hist) . . (+298) . . N 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...)
- 16:04, 9 December 2008 (diff | hist) . . (+168) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>) (current)
- 16:03, 9 December 2008 (diff | hist) . . (0) . . N File:Mj506 mo 2 f12.JPG (current)
- 15:49, 9 December 2008 (diff | hist) . . (+20) . . Mod:mj506 mod2 (→Log files for gaussian)
- 15:49, 9 December 2008 (diff | hist) . . (+421) . . Mod:mj506 mod2 (→Log files for gaussian)
- 15:49, 9 December 2008 (diff | hist) . . (0) . . N File:TIF4 OPT FREQ MO.LOG (current)
- 15:48, 9 December 2008 (diff | hist) . . (0) . . N File:Ti3 f15 lanl2dz opt freq mo.out (current)
- 15:46, 9 December 2008 (diff | hist) . . (0) . . N File:Ti3cl15 lanl2dz opt freq mo.out (current)
- 15:46, 9 December 2008 (diff | hist) . . (0) . . N File:Ti3f12 lanl2dz opt freq mo.out (current)
- 15:45, 9 December 2008 (diff | hist) . . (+209) . . Mod:mj506 mod2 (→Investigation of TiX<sub>4</sub>)
- 15:45, 9 December 2008 (diff | hist) . . (0) . . N File:Ti3cl12 lanl2dz opt freq mo.out (current)
- 15:37, 9 December 2008 (diff | hist) . . (+113) . . Mod:mj506 mod2 (→Energies of formation and geometries of TiX<sub>4</sub>)
- 23:41, 8 December 2008 (diff | hist) . . (+656) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>)
- 23:32, 8 December 2008 (diff | hist) . . (0) . . N File:Mj506 mo f12.JPG (current)
- 16:07, 8 December 2008 (diff | hist) . . (-4) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>)
- 16:06, 8 December 2008 (diff | hist) . . (+27) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>)
- 16:04, 8 December 2008 (diff | hist) . . (+663) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>)
- 15:55, 8 December 2008 (diff | hist) . . (+915) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>)
- 15:48, 8 December 2008 (diff | hist) . . (+117) . . Mod:mj506 mod2 (→Solid state investigation into TiF<sub>4</sub> and TiCl<sub>4</sub>)
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