User contributions for Ja2010

8 February 2013

• 07:3007:30, 8 February 2013 diff hist 0 Rep:Mod:Janie192 →Results Summary
• 07:2907:29, 8 February 2013 diff hist +1 Rep:Mod:Janie192 →Results Summary
• 07:2907:29, 8 February 2013 diff hist +92 Rep:Mod:Janie192 →Results Summary
• 07:2707:27, 8 February 2013 diff hist +15 Rep:Mod:Janie192 →Results Summary
• 07:2607:26, 8 February 2013 diff hist +7 Rep:Mod:Janie192 →Computation of the minimium pathway of the cope rearrangement to the product
• 07:2407:24, 8 February 2013 diff hist +133 Rep:Mod:Janie192 →Optimizing the Chair and Boat Transition Structures
• 07:1807:18, 8 February 2013 diff hist +47 Rep:Mod:Janie192 →Optimizing the Chair and Boat Transition Structures
• 07:1407:14, 8 February 2013 diff hist +1 Rep:Mod:Janie192 →Thermochemistry Analysis of 6-31G basis set
• 07:1307:13, 8 February 2013 diff hist +201 Rep:Mod:Janie192 →Frequency Analysis of Anti2 1,5-Hexadiene with a 6-31G* basis set
• 07:0907:09, 8 February 2013 diff hist +43 Rep:Mod:Janie192 →Optimisation of anti2 1,5-Hexadiene
• 07:0107:01, 8 February 2013 diff hist −4 Rep:Mod:Janie192 →Optimisation of anti2 1,5-Hexadiene
• 07:0107:01, 8 February 2013 diff hist +27 Rep:Mod:Janie192 →Optimisation of anti2 1,5-Hexadiene
• 07:0007:00, 8 February 2013 diff hist +18 Rep:Mod:Janie192 →Optimisation of anti2 1,5-Hexadiene
• 06:5806:58, 8 February 2013 diff hist −126 Rep:Mod:Janie192 →Optimisation of 1,5 gauge-Hexadiene
• 06:5706:57, 8 February 2013 diff hist +26 Rep:Mod:Janie192 →Optimisation of 1,5 gauge-Hexadiene
• 06:5506:55, 8 February 2013 diff hist +208 Rep:Mod:Janie192 →Optimisation of 1,5 gauge-Hexadiene
• 06:5106:51, 8 February 2013 diff hist +61 Rep:Mod:Janie192 →Optimisation of 1,5 gauge-Hexadiene
• 06:4406:44, 8 February 2013 diff hist −6 Rep:Mod:Janie192 →References
• 06:4406:44, 8 February 2013 diff hist +105 Rep:Mod:Janie192 →References
• 06:4206:42, 8 February 2013 diff hist +163 Rep:Mod:Janie192 →Optimisation of 1,5 anti-hexadiene
• 06:3406:34, 8 February 2013 diff hist +22 Rep:Mod:Janie192 →Introduction
• 06:3006:30, 8 February 2013 diff hist +407 Rep:Mod:Janie192 →Introduction
• 06:2106:21, 8 February 2013 diff hist +111 Rep:Mod:Janie192 →Introduction
• 06:2006:20, 8 February 2013 diff hist 0 N File:Image of cope rearrangement reaction scheme.png No edit summary current
• 06:1906:19, 8 February 2013 diff hist +469 Rep:Mod:Janie192 →Introduction
• 06:1106:11, 8 February 2013 diff hist −86 Rep:Mod:Janie192 →Introduction

7 February 2013

• 23:0223:02, 7 February 2013 diff hist +1,145 Rep:Mod:Janie192 →Introduction
• 22:2422:24, 7 February 2013 diff hist +106 Rep:Mod:Janie192 →Introduction
• 19:1519:15, 7 February 2013 diff hist +51 Rep:Mod:Janie192 →Comparison of optimised EXO and ENDO Transition States
• 19:1319:13, 7 February 2013 diff hist +79 Rep:Mod:Janie192 →Optimizing the Chair and Boat Transition Structures
• 19:1019:10, 7 February 2013 diff hist +398 Rep:Mod:Janie192 →Optimizing the Chair and Boat Transition Structures
• 19:0719:07, 7 February 2013 diff hist −14 Rep:Mod:Janie192 →Frequency Analysis of Anti2 1,5-Hexadiene with a 3-21G basis set
• 19:0719:07, 7 February 2013 diff hist 0 N File:Ir spectrum of anti-hexadiene 312G.png No edit summary current
• 19:0219:02, 7 February 2013 diff hist 0 Rep:Mod:Janie192 →Frequency Analysis of Anti2 1,5-Hexadiene with a 3-21G basis set
• 18:5818:58, 7 February 2013 diff hist +28 Rep:Mod:Janie192 →Computational analysis of cope rearrangement of 1,5-hexadiene
• 18:5418:54, 7 February 2013 diff hist +171 Rep:Mod:Janie192 →Comparison of optimised EXO and ENDO Transition States
• 18:4718:47, 7 February 2013 diff hist −15 Rep:Mod:Janie192 →Optimisation of the transition state for the ENDO product
• 18:4718:47, 7 February 2013 diff hist −16 Rep:Mod:Janie192 →Optimisation of the transition state for the EXO product
• 18:4618:46, 7 February 2013 diff hist −1 Rep:Mod:Janie192 →Understanding the regioselectivity of the transition state- Cycloadditon reaction of cyclohexa-1,3-diene with maleic anhydride
• 18:4518:45, 7 February 2013 diff hist −1 Rep:Mod:Janie192 →Optimisation of the Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:4418:44, 7 February 2013 diff hist +6 Rep:Mod:Janie192 →Optimisation of the Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:4418:44, 7 February 2013 diff hist +136 Rep:Mod:Janie192 →Optimisation of the Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:3918:39, 7 February 2013 diff hist −30 Rep:Mod:Janie192 →Optimisation of the Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:3918:39, 7 February 2013 diff hist +30 Rep:Mod:Janie192 →Optimisation of the Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:3818:38, 7 February 2013 diff hist 0 N File:Cycloadd opt TS.chk No edit summary current
• 18:3118:31, 7 February 2013 diff hist −11 Rep:Mod:Janie192 →Optimisation of the Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:3118:31, 7 February 2013 diff hist +4 Rep:Mod:Janie192 →Optimisation of Cis-Butadiene-Ethylene Transition State-understanding the geometry of the transition state
• 18:2918:29, 7 February 2013 diff hist +1 Rep:Mod:Janie192 →Optimisation of Cis-Butadiene
• 18:2018:20, 7 February 2013 diff hist +1,624 Rep:Mod:Janie192 →Comparison of optimised EXO and ENDO Transition States
• 18:0218:02, 7 February 2013 diff hist 0 N File:Simplified image of secondary orbital interactions.png No edit summary current