User contributions for Maw210

7 December 2012

• 00:5100:51, 7 December 2012 diff hist +46 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:5000:50, 7 December 2012 diff hist +18 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:4800:48, 7 December 2012 diff hist +303 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:4000:40, 7 December 2012 diff hist +26 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:3900:39, 7 December 2012 diff hist +393 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:3600:36, 7 December 2012 diff hist −68 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:3500:35, 7 December 2012 diff hist +70 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:3300:33, 7 December 2012 diff hist +5 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:3200:32, 7 December 2012 diff hist +197 Rep:Mod:maw210 →Berny optimisation of the transition state
• 00:2600:26, 7 December 2012 diff hist 0 Rep:Mod:maw210 →AM1 semi-emperical optimisation of cis-butadiene
• 00:2500:25, 7 December 2012 diff hist +44 Rep:Mod:maw210 →AM1 semi-emperical optimisation of cis-butadiene
• 00:2500:25, 7 December 2012 diff hist 0 Rep:Mod:maw210 →AM1 semi-emperical optimisation of cis-butadiene
• 00:2400:24, 7 December 2012 diff hist +120 Rep:Mod:maw210 →AM1 semi-emperical optimisation of cis-butadiene
• 00:2100:21, 7 December 2012 diff hist −122 Rep:Mod:maw210 →AM1 semi-emperical optimisation of cis-butadiene
• 00:2100:21, 7 December 2012 diff hist +26 Rep:Mod:maw210 →AM1 semi-emperical optimisation of cis-butadiene
• 00:1600:16, 7 December 2012 diff hist +419 Rep:Mod:maw210 →The Diels-Alder Reaction

6 December 2012

• 23:5323:53, 6 December 2012 diff hist −12 Rep:Mod:maw210 →The Classic Diels-Alder Reaction
• 23:5223:52, 6 December 2012 diff hist +128 Rep:Mod:maw210 →The Diels-Alder Reaction
• 23:3623:36, 6 December 2012 diff hist 0 Rep:Mod:maw210 →The Diels-Alder Reaction
• 23:3623:36, 6 December 2012 diff hist +49 Rep:Mod:maw210 →The Diels-Alder Reaction
• 23:3523:35, 6 December 2012 diff hist 0 N File:Diels alder homo lumo.png No edit summary current
• 23:2123:21, 6 December 2012 diff hist −9 Rep:Mod:maw210 →The Diels-Alder Reaction
• 23:1623:16, 6 December 2012 diff hist +115 Rep:Mod:maw210 →The Diels-Alder Reaction
• 23:1323:13, 6 December 2012 diff hist +43 Rep:Mod:maw210 No edit summary
• 23:0723:07, 6 December 2012 diff hist 0 N File:Diels-alder maw.png No edit summary current
• 22:5822:58, 6 December 2012 diff hist +13 Rep:Mod:maw210 →The Diels-Alder Reaction
• 22:5722:57, 6 December 2012 diff hist +316 Rep:Mod:maw210 →The Diels-Alder Reaction
• 22:3922:39, 6 December 2012 diff hist +48 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 22:3522:35, 6 December 2012 diff hist +496 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 22:2922:29, 6 December 2012 diff hist +20 Rep:Mod:maw210 →Optimisation of boat transition state- QST2
• 22:2722:27, 6 December 2012 diff hist +1 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 22:2622:26, 6 December 2012 diff hist −10 Rep:Mod:maw210 →Optimisation of chair transition state: Frozen Coordinates Method (HF/3-21G)
• 22:2422:24, 6 December 2012 diff hist +7 Rep:Mod:maw210 →Frequency Analysis of anti2 1,5-hexadiene (6-31G(d))
• 22:2322:23, 6 December 2012 diff hist +1 Rep:Mod:maw210 →Frequency Analysis of anti2 1,5-hexadiene (6-31G(d))
• 22:2122:21, 6 December 2012 diff hist −4 Rep:Mod:maw210 →Optimisation of 1,5-hexadiene conformers, HF/3-21G basis set
• 22:1922:19, 6 December 2012 diff hist −4 Rep:Mod:maw210 →Computational Lab, Module 3
• 20:0820:08, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 20:0520:05, 6 December 2012 diff hist +1 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 20:0420:04, 6 December 2012 diff hist +285 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 19:5619:56, 6 December 2012 diff hist +1 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 19:5619:56, 6 December 2012 diff hist +249 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised reactant and transition state structures
• 19:5419:54, 6 December 2012 diff hist +13 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:5319:53, 6 December 2012 diff hist +37 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:5319:53, 6 December 2012 diff hist +156 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:4919:49, 6 December 2012 diff hist +4 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:4919:49, 6 December 2012 diff hist +35 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:4819:48, 6 December 2012 diff hist −876 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:4619:46, 6 December 2012 diff hist +247 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:4119:41, 6 December 2012 diff hist +37 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:4019:40, 6 December 2012 diff hist +8 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures