User contributions for Jh2810

28 November 2012

• 14:4214:42, 28 November 2012 diff hist −1,238 Rep:Mod:jh2810B →Objectives of the set first part of this module (~1 week)
• 13:4213:42, 28 November 2012 diff hist +498 Mod:organic Undo revision 284314 by Jh2810 (talk)
• 13:4113:41, 28 November 2012 diff hist −498 Mod:organic No edit summary
• 13:3113:31, 28 November 2012 diff hist −361 Rep:Mod:jh2810B No edit summary
• 13:3013:30, 28 November 2012 diff hist −139 Rep:Mod:jh2810B →Module 1. Techniques of molecular mechanics and semi-empirical molecular orbital methods for structural and spectroscopic evaluations
• 13:3013:30, 28 November 2012 diff hist +75,653 Rep:Mod:jh2810B No edit summary

27 November 2012

• 14:1914:19, 27 November 2012 diff hist +2,351 Rep:Mod:jh2810B No edit summary
• 14:1914:19, 27 November 2012 diff hist 0 N File:Product2 imagejh2810.gif No edit summary current
• 14:1914:19, 27 November 2012 diff hist 0 N File:Product1 imagejh2810.gif No edit summary current
• 12:2512:25, 27 November 2012 diff hist −2 Rep:Mod:jh2810B No edit summary
• 12:2412:24, 27 November 2012 diff hist +1,088 N Rep:Mod:jh2810B Created page with " To use molecular mechanics (< 6 hours) to predict the geometry and regioselectivity of: *the hydrogenation of cyclopentadiene dimer *the conformation/atropisomerism of a large r..."

23 November 2012

• 16:5616:56, 23 November 2012 diff hist +6 Rep:Mod:jh2810 →Transition State Geometry:
• 16:5516:55, 23 November 2012 diff hist −36 Rep:Mod:jh2810 →Transition state structure:
• 16:5416:54, 23 November 2012 diff hist −114 Rep:Mod:jh2810 No edit summary
• 16:5316:53, 23 November 2012 diff hist −1 Rep:Mod:jh2810 →1,5-hexadiene Conformers
• 16:5116:51, 23 November 2012 diff hist +6 Rep:Mod:jh2810 →Discussion
• 16:5116:51, 23 November 2012 diff hist +6 Rep:Mod:jh2810 →Numerical Results
• 16:5116:51, 23 November 2012 diff hist −1 Rep:Mod:jh2810 →Numerical Results
• 16:4916:49, 23 November 2012 diff hist +7 Rep:Mod:jh2810 →Numerical Results
• 16:4816:48, 23 November 2012 diff hist +50 Rep:Mod:jh2810 →Comparison
• 16:4716:47, 23 November 2012 diff hist 0 Rep:Mod:jh2810 →Transition State Geometry:
• 16:4616:46, 23 November 2012 diff hist +17 Rep:Mod:jh2810 No edit summary
• 16:4516:45, 23 November 2012 diff hist +269 Rep:Mod:jh2810 No edit summary
• 16:3716:37, 23 November 2012 diff hist +262 Rep:Mod:jh2810 No edit summary
• 16:3516:35, 23 November 2012 diff hist 0 N File:Jh2810AWESOMEREASON.gif No edit summary current
• 16:3416:34, 23 November 2012 diff hist +205 Rep:Mod:jh2810 →The Diels Alder Reaction of maleic anhydride with cyclohexa-1,3-diene
• 16:2016:20, 23 November 2012 diff hist +272 Rep:Mod:jh2810 →The Diels Alder Reaction of maleic anhydride with cyclohexa-1,3-diene
• 16:0616:06, 23 November 2012 diff hist −640 Rep:Mod:jh2810 No edit summary
• 16:0116:01, 23 November 2012 diff hist +852 Rep:Mod:jh2810 No edit summary
• 15:3615:36, 23 November 2012 diff hist +14 Rep:Mod:jh2810 →Calculating the activation energies
• 15:3515:35, 23 November 2012 diff hist 0 Rep:Mod:jh2810 →Calculating the activation energies
• 15:3315:33, 23 November 2012 diff hist 0 Rep:Mod:jh2810 →Calculating the activation energies
• 15:3215:32, 23 November 2012 diff hist +58 Rep:Mod:jh2810 →Calculating the activation energies
• 15:3015:30, 23 November 2012 diff hist −134 Rep:Mod:jh2810 No edit summary
• 15:2615:26, 23 November 2012 diff hist +637 Rep:Mod:jh2810 →Chair Transition State
• 15:0615:06, 23 November 2012 diff hist +130 Rep:Mod:jh2810 →1,5-hexadiene Conformers
• 15:0515:05, 23 November 2012 diff hist 0 N File:Jh28100024314713Frequencyanti2.mol No edit summary current
• 15:0115:01, 23 November 2012 diff hist +556 Rep:Mod:jh2810 →1,5-hexadiene Conformers
• 14:5214:52, 23 November 2012 diff hist +89 Rep:Mod:jh2810 →1,5-hexadiene Conformers
• 14:5114:51, 23 November 2012 diff hist −1,236 Rep:Mod:jh2810 No edit summary
• 13:5913:59, 23 November 2012 diff hist −32 Rep:Mod:jh2810 →Intrinsic reaction coordinate from Chair TS
• 13:2313:23, 23 November 2012 diff hist +92 Rep:Mod:jh2810 →Intrinsic reaction coordinate from Chair TS
• 13:1913:19, 23 November 2012 diff hist +255 Rep:Mod:jh2810 →Intrinsic reaction coordinate from Chair TS
• 13:1813:18, 23 November 2012 diff hist 0 N File:Jh2810BoatproductGAUCHE2.gif No edit summary current
• 13:1513:15, 23 November 2012 diff hist +606 Rep:Mod:jh2810 →Intrinsic reaction coordinate from Chair TS
• 13:0513:05, 23 November 2012 diff hist +353 Rep:Mod:jh2810 →Intrinsic reaction coordinate from Chair TS
• 13:0413:04, 23 November 2012 diff hist 0 N File:Jh281Boattsafter100iterationsalongIRC.gif No edit summary current
• 13:0113:01, 23 November 2012 diff hist +446 Rep:Mod:jh2810 →Intrinsic reaction coordinate from Chair TS
• 12:5912:59, 23 November 2012 diff hist 0 N File:Jh2810IRCIMAGEOFGRAPHS.gif No edit summary current
• 12:5012:50, 23 November 2012 diff hist +157 Rep:Mod:jh2810 No edit summary