User contributions for Pb1611

14 February 2014

• 16:3116:31, 14 February 2014 diff hist +210 Rep:Mod:pollybuik →Hessian Method
• 16:2916:29, 14 February 2014 diff hist 0 N File:PB1611rockingchair HESS1.gif No edit summary current
• 16:2416:24, 14 February 2014 diff hist +1,274 Rep:Mod:pollybuik →Hessian Method
• 16:2316:23, 14 February 2014 diff hist 0 N File:PB1611HESS chair.png No edit summary current
• 16:2216:22, 14 February 2014 diff hist 0 N File:PB1611CHAIR TSGUESS HESS1.LOG No edit summary current
• 16:1516:15, 14 February 2014 diff hist +184 Rep:Mod:pollybuik →Optimizing the allylic fragment
• 16:1016:10, 14 February 2014 diff hist +1,129 Rep:Mod:pollybuik →Optimizing the allylic fragment
• 16:0816:08, 14 February 2014 diff hist 0 N File:PB1611ALLYL OPTI HF321G.LOG No edit summary current
• 16:0416:04, 14 February 2014 diff hist −142 Rep:Mod:pollybuik →Optimizing the Boat and Chair Transition Structures
• 16:0416:04, 14 February 2014 diff hist +24 Rep:Mod:pollybuik →Geometry of the Transition state
• 16:0116:01, 14 February 2014 diff hist +926 Rep:Mod:pollybuik →Geometry of the Transition state
• 15:4415:44, 14 February 2014 diff hist +620 Rep:Mod:pollybuik →Geometry of the Transition state
• 15:3015:30, 14 February 2014 diff hist 0 N File:PB1611TSgeom.png No edit summary current
• 15:2915:29, 14 February 2014 diff hist +242 Rep:Mod:pollybuik →Molecular orbitals of the Transition state
• 15:1615:16, 14 February 2014 diff hist +155 Rep:Mod:pollybuik →Molecular orbitals of the Transition state
• 15:0715:07, 14 February 2014 diff hist +879 Rep:Mod:pollybuik →Molecular orbitals of the Transition state
• 14:5414:54, 14 February 2014 diff hist 0 N File:PB1611MOdiagram.png No edit summary current
• 14:2214:22, 14 February 2014 diff hist +65 Rep:Mod:pollybuik →Optimizing cis-Butadiene
• 14:1214:12, 14 February 2014 diff hist 0 N File:PB1611Butadiene HOMOLUMO.png No edit summary current
• 13:5913:59, 14 February 2014 diff hist +163 Rep:Mod:pollybuik →Molecular orbitals of the Transition state
• 13:4813:48, 14 February 2014 diff hist +358 Rep:Mod:pollybuik →Molecular orbitals of the Transition state
• 13:4413:44, 14 February 2014 diff hist +16 Rep:Mod:pollybuik →Optimizing cis-Butadiene
• 13:4313:43, 14 February 2014 diff hist +805 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 13:1813:18, 14 February 2014 diff hist 0 N File:PB1611LUMO2 TS1.png No edit summary current
• 13:1813:18, 14 February 2014 diff hist 0 N File:PB1611LUMO1 TS1.png No edit summary current
• 13:1313:13, 14 February 2014 diff hist 0 N File:PB1611HOMO TS1.png No edit summary current
• 12:1912:19, 14 February 2014 diff hist 0 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 12:1912:19, 14 February 2014 diff hist +16 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 12:1712:17, 14 February 2014 diff hist +63 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 12:1312:13, 14 February 2014 diff hist 0 N File:PB1611TS1animation.gif No edit summary current
• 12:0712:07, 14 February 2014 diff hist +35 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 12:0312:03, 14 February 2014 diff hist +778 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 11:5011:50, 14 February 2014 diff hist 0 N File:PB1611QST3 1.LOG No edit summary current
• 11:4511:45, 14 February 2014 diff hist 0 N File:PB1611GUESSTS1 UNFROZ1.LOG No edit summary current
• 11:4411:44, 14 February 2014 diff hist 0 N File:PB1611TS1 GUESS.png No edit summary current
• 11:4111:41, 14 February 2014 diff hist 0 N File:PB1611TS1 QST3.png No edit summary current
• 11:3911:39, 14 February 2014 diff hist 0 N File:PB1611TS1 FROZ.png No edit summary current
• 10:1710:17, 14 February 2014 diff hist 0 N File:PB1611GUESSTS1 HESS.LOG No edit summary current
• 10:1510:15, 14 February 2014 diff hist 0 File:PB1611Hess TSguess1.png uploaded a new version of "File:PB1611Hess TSguess1.png" current
• 10:1410:14, 14 February 2014 diff hist −440 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 09:5709:57, 14 February 2014 diff hist +568 Rep:Mod:pollybuik →Optimizing the Boat and Chair Transition Structures

13 February 2014

• 22:4922:49, 13 February 2014 diff hist +1,445 Rep:Mod:pollybuik →Optimizing the guess transtition structure for Diels Alder cycloaddition
• 22:2022:20, 13 February 2014 diff hist 0 N File:PB1611Hess TSguess1.png No edit summary
• 22:1922:19, 13 February 2014 diff hist 0 N File:PB1611HESS TSGUESS1.LOG No edit summary current
• 22:0122:01, 13 February 2014 diff hist −53 Rep:Mod:pollybuik →Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
• 21:5121:51, 13 February 2014 diff hist +130 Rep:Mod:pollybuik →Optimizing cis-Butadiene
• 21:4921:49, 13 February 2014 diff hist 0 File:PB1611Cis buta meshLU2.png uploaded a new version of "File:PB1611Cis buta meshLU2.png" current
• 21:4721:47, 13 February 2014 diff hist 0 File:PB1611Cis buta meshLU1.png uploaded a new version of "File:PB1611Cis buta meshLU1.png" current
• 21:4621:46, 13 February 2014 diff hist 0 File:PB1611Cis buta meshHO2.png uploaded a new version of "File:PB1611Cis buta meshHO2.png" current
• 20:3920:39, 13 February 2014 diff hist 0 File:PB1611Cis buta meshHO1.png uploaded a new version of "File:PB1611Cis buta meshHO1.png" current