User contributions for Maw210

6 December 2012

• 17:1017:10, 6 December 2012 diff hist +12 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 17:1017:10, 6 December 2012 diff hist +184 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 17:0717:07, 6 December 2012 diff hist +99 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 17:0617:06, 6 December 2012 diff hist +153 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 17:0017:00, 6 December 2012 diff hist +46 Rep:Mod:maw210 →Berny Optimisation of the chair transition state (HF/3-21G)
• 16:5916:59, 6 December 2012 diff hist +46 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 16:4316:43, 6 December 2012 diff hist +60 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 16:4316:43, 6 December 2012 diff hist +1 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 16:4216:42, 6 December 2012 diff hist +70 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 16:3816:38, 6 December 2012 diff hist +247 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 16:3216:32, 6 December 2012 diff hist +261 Rep:Mod:maw210 →Berny Optimisation of the chair transition state (HF/3-21G)
• 16:2616:26, 6 December 2012 diff hist +2 Rep:Mod:maw210 →Berny Optimisation of the chair transition state (HF/3-21G)
• 16:1916:19, 6 December 2012 diff hist +93 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene conformers, HF/3-21G basis set
• 15:5415:54, 6 December 2012 diff hist +4 Rep:Mod:maw210 →Chair Transition State
• 15:5215:52, 6 December 2012 diff hist +94 Rep:Mod:maw210 →Chair Transition State
• 15:4015:40, 6 December 2012 diff hist +266 Rep:Mod:maw210 →Chair Transition State
• 15:2315:23, 6 December 2012 diff hist +367 Rep:Mod:maw210 →Chair Transition State
• 15:1715:17, 6 December 2012 diff hist +6 Rep:Mod:maw210 →Chair Transition State
• 15:1215:12, 6 December 2012 diff hist +199 Rep:Mod:maw210 →Chair Transition State
• 15:0715:07, 6 December 2012 diff hist +356 Rep:Mod:maw210 →Chair Transition State
• 14:4414:44, 6 December 2012 diff hist +318 Rep:Mod:maw210 →Chair Transition State
• 13:4313:43, 6 December 2012 diff hist +93 Rep:Mod:maw210 →Chair Transition State
• 13:4013:40, 6 December 2012 diff hist +273 Rep:Mod:maw210 →Berny Optimisation of the chair transition state (HF/3-21G)
• 13:3613:36, 6 December 2012 diff hist +201 Rep:Mod:maw210 →Optimisation of chair transition state- Berny (HF/3-21G)
• 13:2513:25, 6 December 2012 diff hist +2 Rep:Mod:maw210 →Comparison of HF/3-21G and 6-31G(d) optimised anti 2 conformer
• 13:2413:24, 6 December 2012 diff hist +1 Rep:Mod:maw210 →Comparison of HF/3-21G and 6-31G(d) optimised anti 2 conformer
• 13:2313:23, 6 December 2012 diff hist +229 Rep:Mod:maw210 →Comparison of HF/3-21G and 6-31G(d) optimised anti 2 conformer
• 10:4410:44, 6 December 2012 diff hist +29 Rep:Mod:maw210 →Frequency Analysis of 1,5-hexadiene (anti 2)
• 10:4010:40, 6 December 2012 diff hist +6 Rep:Mod:maw210 →Frequency Analysis of 1,5-hexadiene (anti 2)
• 10:4010:40, 6 December 2012 diff hist +93 Rep:Mod:maw210 →Frequency Analysis of 1,5-hexadiene (anti 2)
• 10:3410:34, 6 December 2012 diff hist +45 Rep:Mod:maw210 →Computational Lab, Module 3

5 December 2012

• 13:4513:45, 5 December 2012 diff hist +2 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:4413:44, 5 December 2012 diff hist −2 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:4313:43, 5 December 2012 diff hist −260 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:4213:42, 5 December 2012 diff hist +1 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:4213:42, 5 December 2012 diff hist +5 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:4213:42, 5 December 2012 diff hist +439 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:4013:40, 5 December 2012 diff hist 0 Rep:Mod:maw210 →Optimisation of an allyl fragment (HF/3-21G)
• 13:4013:40, 5 December 2012 diff hist 0 Rep:Mod:maw210 →Optimisation of an allyl fragment (HF/3-21G)
• 13:3913:39, 5 December 2012 diff hist +197 Rep:Mod:maw210 →Optimisation of an allyl fragment (HF/3-21G)
• 13:3713:37, 5 December 2012 diff hist 0 Rep:Mod:maw210 →Optimisation of chair transition state- Berny (HF/3-21G)
• 13:3713:37, 5 December 2012 diff hist +16 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene (anti 2), 6-31G(d) basis set
• 13:3513:35, 5 December 2012 diff hist 0 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene conformers, HF/3-21G basis set
• 13:3413:34, 5 December 2012 diff hist +1 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene conformers, HF/3-21G basis set
• 13:3313:33, 5 December 2012 diff hist +117 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene conformers, HF/3-21G basis set
• 13:2913:29, 5 December 2012 diff hist −14 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene conformers, HF/3-21G basis set
• 13:0813:08, 5 December 2012 diff hist +2 Rep:Mod:maw210 →Computational Lab, Module 3
• 10:5710:57, 5 December 2012 diff hist +134 Rep:Mod:maw210 →Computational Lab, Module 3
• 10:5610:56, 5 December 2012 diff hist +190 Rep:Mod:maw210 →Computational Lab, Module 3

4 December 2012

• 17:4217:42, 4 December 2012 diff hist +16 Rep:Mod:maw210 →Optimisation of boat transition state- QST2