User contributions for Ytw08

17 February 2011

• 10:5510:55, 17 February 2011 diff hist +1,226 Rep:Mod:intersect →Cope Rearrangement
• 10:1710:17, 17 February 2011 diff hist +22 Rep:Mod:intersect →Thermochemistry of ''Anti-2'' conformer
• 10:1610:16, 17 February 2011 diff hist +14 Rep:Mod:intersect →Thermochemistry of ''Anti-2'' conformer
• 00:5800:58, 17 February 2011 diff hist 0 Rep:Mod:intersect →Geometry
• 00:5600:56, 17 February 2011 diff hist 0 Rep:Mod:intersect →Geometry

16 February 2011

• 23:2923:29, 16 February 2011 diff hist +363 Rep:Mod:intersect →Geometry
• 23:2023:20, 16 February 2011 diff hist +93 Rep:Mod:intersect →Geometry
• 23:1623:16, 16 February 2011 diff hist 0 N File:Endofinal wuteng.png No edit summary current
• 23:0923:09, 16 February 2011 diff hist +252 Rep:Mod:intersect →Geometry
• 23:0523:05, 16 February 2011 diff hist 0 N File:Endofinal wu.png No edit summary current
• 22:5922:59, 16 February 2011 diff hist 0 N File:Exofinal wu.png No edit summary current
• 22:4722:47, 16 February 2011 diff hist +34 Rep:Mod:intersect →Intrinsic Reaction Coordinate (IRC) of ''Chair'' transition state
• 22:3322:33, 16 February 2011 diff hist +98 Rep:Mod:intersect →Activation energies for the transition states
• 22:3022:30, 16 February 2011 diff hist +131 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
• 22:3022:30, 16 February 2011 diff hist 0 N File:Wu PART D.LOG No edit summary current
• 22:2922:29, 16 February 2011 diff hist 0 N File:CHAIR TS OPT wu.LOG No edit summary current
• 22:2622:26, 16 February 2011 diff hist 0 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
• 22:1922:19, 16 February 2011 diff hist +30 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
• 22:1822:18, 16 February 2011 diff hist +42 Rep:Mod:intersect →Intrinsic Reaction Coordinate (IRC) of ''Chair'' transition state
• 22:1322:13, 16 February 2011 diff hist +52 Rep:Mod:intersect →Comparison between HF/3-21G and DFT/B3LYP/6-31G(d) Optimisation
• 22:1322:13, 16 February 2011 diff hist 0 N File:ANTI CORRECT B3LYP.LOG No edit summary current
• 22:1122:11, 16 February 2011 diff hist −2 Rep:Mod:intersect →Optimisation with HF/3-21G
• 22:1122:11, 16 February 2011 diff hist 0 N File:ANTI MOLNEW1.LOG No edit summary current
• 22:1122:11, 16 February 2011 diff hist 0 N File:ANTI MOLNEW2.LOG No edit summary current
• 22:1022:10, 16 February 2011 diff hist 0 N File:GAU WU1.LOG No edit summary current
• 22:0922:09, 16 February 2011 diff hist 0 N File:GAU MOLNEW1.LOG No edit summary current
• 22:0722:07, 16 February 2011 diff hist +183 Rep:Mod:intersect →Optimisation with HF/3-21G
• 22:0522:05, 16 February 2011 diff hist +327 Rep:Mod:intersect →Activation energy
• 21:5821:58, 16 February 2011 diff hist 0 Rep:Mod:intersect →Optimisation
• 21:5721:57, 16 February 2011 diff hist +30 Rep:Mod:intersect →Optimisation
• 21:5621:56, 16 February 2011 diff hist +88 Rep:Mod:intersect →Molecular Orbitals of reactants
• 21:5221:52, 16 February 2011 diff hist +208 Rep:Mod:intersect →Optimisation of the exo and endo transition states
• 21:4621:46, 16 February 2011 diff hist −18 Rep:Mod:intersect →Vibrational frequency
• 19:5119:51, 16 February 2011 diff hist +2 Rep:Mod:intersect →Geometry
• 19:5019:50, 16 February 2011 diff hist +106 Rep:Mod:intersect →Geometry
• 19:4519:45, 16 February 2011 diff hist +86 Rep:Mod:intersect →Molecular Orbitals
• 19:4419:44, 16 February 2011 diff hist 0 N File:Endo3 wu.png No edit summary current
• 19:4119:41, 16 February 2011 diff hist 0 N File:Endo2 wu.png No edit summary current
• 19:4019:40, 16 February 2011 diff hist 0 N File:Endo1 wu.png No edit summary current
• 19:3419:34, 16 February 2011 diff hist 0 N File:Exo2 wu.png No edit summary current
• 19:3219:32, 16 February 2011 diff hist 0 N File:Exo1 wu.png No edit summary current
• 19:1219:12, 16 February 2011 diff hist +47 Rep:Mod:intersect →Optimisation of the exo and endo transition states
• 19:1219:12, 16 February 2011 diff hist 0 N File:ENDOFINAL.gif No edit summary current
• 19:0819:08, 16 February 2011 diff hist 0 N File:EXOFINAL.gif No edit summary current
• 19:0119:01, 16 February 2011 diff hist 0 N File:Endo ts wu bsL.mol No edit summary current
• 18:5918:59, 16 February 2011 diff hist +647 Rep:Mod:intersect →Molecular Orbitals
• 18:4518:45, 16 February 2011 diff hist 0 Rep:Mod:intersect →Optimisation of the exo and endo transition states
• 18:4218:42, 16 February 2011 diff hist 0 N File:Exo ts wu b3L.mol No edit summary current
• 18:3818:38, 16 February 2011 diff hist +55 Rep:Mod:intersect →Optimisation of the exo and endo transition states
• 18:3718:37, 16 February 2011 diff hist 0 N File:Endoam2 wu ts.gif No edit summary current