User contributions for La409

17 February 2012

• 16:4816:48, 17 February 2012 diff hist +192 Rep:Mod:La409Mod3 →The Reactant
• 16:4616:46, 17 February 2012 diff hist +449 Rep:Mod:La409Mod3 →AM1
• 16:3916:39, 17 February 2012 diff hist +432 Rep:Mod:La409Mod3 →AM1
• 16:3716:37, 17 February 2012 diff hist 0 N File:La409 endo berny.mol No edit summary current
• 16:3416:34, 17 February 2012 diff hist 0 N File:La409 exo berny.mol No edit summary current
• 16:3216:32, 17 February 2012 diff hist +117 Rep:Mod:La409Mod3 →AM1
• 16:2616:26, 17 February 2012 diff hist +111 Rep:Mod:La409Mod3 →Conclusion
• 16:2516:25, 17 February 2012 diff hist +64 Rep:Mod:La409Mod3 →Investigating other parameter changes
• 16:2316:23, 17 February 2012 diff hist +25 Rep:Mod:La409Mod3 →The Reactant
• 16:2016:20, 17 February 2012 diff hist −29 Rep:Mod:La409Mod3 →Conclusion
• 16:1616:16, 17 February 2012 diff hist +376 Rep:Mod:La409Mod3 →Conclusion
• 16:0716:07, 17 February 2012 diff hist +456 Rep:Mod:La409Mod3 →HF/3-21G
• 15:5315:53, 17 February 2012 diff hist +47 Rep:Mod:La409Mod3 →HF/3-21G
• 15:5115:51, 17 February 2012 diff hist +204 Rep:Mod:La409Mod3 →HF/3-21G
• 15:4715:47, 17 February 2012 diff hist +94 Rep:Mod:La409Mod3 →AM1
• 15:4515:45, 17 February 2012 diff hist +107 Rep:Mod:La409Mod3 →Cis-butadiene and ethene
• 15:4315:43, 17 February 2012 diff hist 0 N File:La409 buta berny.log No edit summary current
• 15:4115:41, 17 February 2012 diff hist +94 Rep:Mod:La409Mod3 →Activation energies
• 15:3815:38, 17 February 2012 diff hist +63 Rep:Mod:La409Mod3 →Normal optimisation of the final geometry
• 15:3715:37, 17 February 2012 diff hist 0 N File:La409 chair irc min.log No edit summary current
• 15:3515:35, 17 February 2012 diff hist +2 Rep:Mod:La409Mod3 →Optimising using the QST2 method
• 15:3415:34, 17 February 2012 diff hist +57 Rep:Mod:La409Mod3 →Optimising using the QST2 method
• 15:3415:34, 17 February 2012 diff hist 0 N File:La409 boat qst2.log No edit summary current
• 15:3015:30, 17 February 2012 diff hist +1 Rep:Mod:La409Mod3 →Optimising using redundant coordinates
• 15:2915:29, 17 February 2012 diff hist +67 Rep:Mod:La409Mod3 →Optimising using redundant coordinates
• 15:2815:28, 17 February 2012 diff hist 0 N File:La409 chair optfreqredun.log No edit summary current
• 15:2315:23, 17 February 2012 diff hist +63 Rep:Mod:La409Mod3 →Optimising to a Transition State (Berny)
• 15:1515:15, 17 February 2012 diff hist +113 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures
• 15:1015:10, 17 February 2012 diff hist +217 Rep:Mod:La409Mod3 →Introduction
• 15:0015:00, 17 February 2012 diff hist +1,074 Rep:Mod:La409Mod3 →Activation energies
• 14:4914:49, 17 February 2012 diff hist +29 Rep:Mod:La409Mod3 →The Transition State
• 14:4514:45, 17 February 2012 diff hist +676 Rep:Mod:La409Mod3 →The Reactant
• 14:1314:13, 17 February 2012 diff hist −33 Rep:Mod:La409Mod3 →The Reactant
• 14:0714:07, 17 February 2012 diff hist +565 Rep:Mod:La409Mod3 →The Cope Rearrangement
• 13:5313:53, 17 February 2012 diff hist 0 N File:La409 Gauche3 HOMO.JPG No edit summary current
• 13:1613:16, 17 February 2012 diff hist +108 Rep:Mod:La409Mod3 →The Reactant
• 13:1013:10, 17 February 2012 diff hist −61 Rep:Mod:La409Mod3 →HF/3-21G
• 13:0813:08, 17 February 2012 diff hist +246 Rep:Mod:La409Mod3 →Cyclohexadiene and maleic anhydride
• 12:5512:55, 17 February 2012 diff hist 0 Rep:Mod:La409Mod3 →The Reactant
• 12:5212:52, 17 February 2012 diff hist 0 Rep:Mod:La409Mod3 →The Cope Rearrangement
• 12:5212:52, 17 February 2012 diff hist 0 N File:La409 Anti3 IR 0K.jpg No edit summary current
• 12:5112:51, 17 February 2012 diff hist 0 N File:La409 Anti3 IR.jpg No edit summary current
• 12:4912:49, 17 February 2012 diff hist 0 Rep:Mod:La409Mod3 →AM1
• 12:4912:49, 17 February 2012 diff hist +344 Rep:Mod:La409Mod3 →AM1
• 12:4912:49, 17 February 2012 diff hist 0 N File:La409 am1 exo LUMO+2.jpg No edit summary current
• 11:4711:47, 17 February 2012 diff hist +73 Rep:Mod:La409Mod3 →Cyclohexadiene and maleic anhydride
• 11:4711:47, 17 February 2012 diff hist 0 N File:La409 am1 exo vib.gif No edit summary current
• 11:4011:40, 17 February 2012 diff hist +45 Rep:Mod:La409Mod3 →Cyclohexadiene and maleic anhydride
• 11:3411:34, 17 February 2012 diff hist 0 N File:La409 am1 endo vib.gif No edit summary current
• 11:2111:21, 17 February 2012 diff hist +14 Rep:Mod:La409Mod3 →Cyclohexadiene and maleic anhydride