User contributions for Maw210

6 December 2012

• 19:3719:37, 6 December 2012 diff hist +8 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:3519:35, 6 December 2012 diff hist +30 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:3119:31, 6 December 2012 diff hist −15 Rep:Mod:maw210 →Frequency analysis of anti2 1,5-hexadiene (HF/3-21G)
• 19:3119:31, 6 December 2012 diff hist +86 Rep:Mod:maw210 →Frequency analysis of anti2 1,5-hexadiene (HF/3-21G)
• 19:3119:31, 6 December 2012 diff hist 0 N File:ANTI2 FREQ 321G.LOG No edit summary current
• 19:3019:30, 6 December 2012 diff hist +3 Rep:Mod:maw210 →Frequency analysis of anti2 1,5-hexadiene (3-21G)
• 19:3019:30, 6 December 2012 diff hist +819 Rep:Mod:maw210 →Frequency Analysis of 1,5-hexadiene (anti 2)
• 19:2619:26, 6 December 2012 diff hist +7 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:2519:25, 6 December 2012 diff hist +4 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:1819:18, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:1719:17, 6 December 2012 diff hist −130 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:1719:17, 6 December 2012 diff hist −11 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:1619:16, 6 December 2012 diff hist +15 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:1619:16, 6 December 2012 diff hist +853 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 19:0019:00, 6 December 2012 diff hist +3 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:5818:58, 6 December 2012 diff hist +2 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:5718:57, 6 December 2012 diff hist +15 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:5718:57, 6 December 2012 diff hist +52 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:5518:55, 6 December 2012 diff hist −1 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:4818:48, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:4418:44, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:4018:40, 6 December 2012 diff hist −31 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:3318:33, 6 December 2012 diff hist −4 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:3318:33, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:3218:32, 6 December 2012 diff hist −185 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:3018:30, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:3018:30, 6 December 2012 diff hist +1,441 Rep:Mod:maw210 →Comparison of 3-21G and 6-31G(d) optimised transition state structures
• 18:1718:17, 6 December 2012 diff hist +409 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 18:1018:10, 6 December 2012 diff hist −27 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 18:0918:09, 6 December 2012 diff hist −5 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 18:0418:04, 6 December 2012 diff hist +13 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 18:0418:04, 6 December 2012 diff hist +39 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 18:0318:03, 6 December 2012 diff hist −6 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 18:0018:00, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:5917:59, 6 December 2012 diff hist +290 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:5917:59, 6 December 2012 diff hist 0 N File:Irc opt maw 1.PNG No edit summary current
• 17:5817:58, 6 December 2012 diff hist 0 N File:Irc opt maw.PNG No edit summary current
• 17:4317:43, 6 December 2012 diff hist +9 Rep:Mod:maw210 →Optimisation of boat transition state using 6-31G(d) basis set
• 17:4017:40, 6 December 2012 diff hist +11 Rep:Mod:maw210 →Optimisation of chair transition state using 6-31G(d) basis set
• 17:4017:40, 6 December 2012 diff hist −65 Rep:Mod:maw210 →Optimisation of chair transition state using 6-31G(d) basis set
• 17:3817:38, 6 December 2012 diff hist +65 Rep:Mod:maw210 →Optimisation of chair transition state using 6-31G(d) basis set
• 17:3617:36, 6 December 2012 diff hist +14 Rep:Mod:maw210 →Optimisation of chair transition state using 6-31G(d) basis set
• 17:3217:32, 6 December 2012 diff hist +56 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:2517:25, 6 December 2012 diff hist +9 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:2417:24, 6 December 2012 diff hist +6 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:2317:23, 6 December 2012 diff hist 0 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:2317:23, 6 December 2012 diff hist +97 Rep:Mod:maw210 →Optimisation of chair transition state: IRC Method (HF/3-21G)
• 17:1917:19, 6 December 2012 diff hist −7 Rep:Mod:maw210 →Optimisation of boat transition state- QST2
• 17:1517:15, 6 December 2012 diff hist +170 Rep:Mod:maw210 →Optimisation of boat transition state- QST2
• 17:1217:12, 6 December 2012 diff hist +116 Rep:Mod:maw210 →Optimisation of boat transition state- QST2