User contributions for Cj207
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27 February 2009
- 14:0214:02, 27 February 2009 diff hist +443 Rep:Mod:cjmodule3 →Optimisation of Boat (QST2 method)
- 13:5913:59, 27 February 2009 diff hist 0 N File:BOAT QST2 HF 321G OPT 1 Jmol.mol No edit summary current
- 13:5713:57, 27 February 2009 diff hist +61 Rep:Mod:cjmodule3 →Intrinsic Reaction Coordinate (IRC)
- 13:5313:53, 27 February 2009 diff hist +42 Rep:Mod:cjmodule3 →Transition State Geometry of Prototype Reaction
- 13:5213:52, 27 February 2009 diff hist 0 N File:Suprafacial TS prototype.JPG No edit summary current
- 13:4113:41, 27 February 2009 diff hist +603 Rep:Mod:cjmodule3 →Molecular Orbitals of ''Endo'' and ''Exo'' Transition States
- 13:3913:39, 27 February 2009 diff hist 0 N File:Endo HOMO sideview.JPG No edit summary current
- 13:3913:39, 27 February 2009 diff hist 0 N File:Endo HOMO ql.JPG No edit summary current
- 13:3913:39, 27 February 2009 diff hist 0 N File:Exo HOMO sideview.JPG No edit summary current
- 13:3913:39, 27 February 2009 diff hist 0 N File:Exo HOMO ql.JPG No edit summary current
- 13:0113:01, 27 February 2009 diff hist +2 Rep:Mod:cjmodule3 →Optimisation and MOs Generation of ''cis''-butadiene
- 12:5912:59, 27 February 2009 diff hist +5 Rep:Mod:cjmodule3 →Optimisation and MOs Generation of ''cis''-butadiene
- 12:5712:57, 27 February 2009 diff hist +22 Rep:Mod:cjmodule3 →Optimisation and MOs Generation of ''cis''-butadiene
- 12:5512:55, 27 February 2009 diff hist 0 N File:Diene AM1 opt LUMO CD al.JPG No edit summary current
- 12:5512:55, 27 February 2009 diff hist 0 N File:Diene AM1 opt LUMO al.JPG No edit summary current
- 12:5412:54, 27 February 2009 diff hist 0 N File:Diene AM1 opt HOMO CD al.JPG No edit summary current
- 12:5412:54, 27 February 2009 diff hist 0 N File:Diene AM1 opt HOMO al.JPG No edit summary current
- 12:5412:54, 27 February 2009 diff hist 0 N File:Cisdibutadiene AM1 opt LUMO al.JPG No edit summary current
- 12:5412:54, 27 February 2009 diff hist 0 N File:Cisdibutadiene AM1 opt HOMO al.JPG No edit summary current
- 12:4212:42, 27 February 2009 diff hist +6 Rep:Mod:cjmodule3 →Molecular Orbitals of Transition State
- 12:4112:41, 27 February 2009 diff hist 0 N File:Fragments TS AM1 opt freq MOs LUMO al.JPG No edit summary current
- 12:4112:41, 27 February 2009 diff hist 0 N File:Fragments TS AM1 opt freq MOs HOMO al.JPG No edit summary current
- 00:1000:10, 27 February 2009 diff hist −70 Rep:Mod:cjmodule3 →Optimisation of Boat (QST2 method)
- 00:0500:05, 27 February 2009 diff hist +527 Rep:Mod:cjmodule3 →Intrinsic Reaction Coordinate (IRC)
26 February 2009
- 23:4623:46, 26 February 2009 diff hist +329 Rep:Mod:cjmodule3 →Intrinsic Reaction Coordinate (IRC)
- 23:4423:44, 26 February 2009 diff hist +144 Rep:Mod:cjmodule3 →Transition State Geometry of Prototype Reaction
- 23:4123:41, 26 February 2009 diff hist +256 Rep:Mod:cjmodule3 →Transition State Geometry of Prototype Reaction
- 23:3423:34, 26 February 2009 diff hist +34 Rep:Mod:cjmodule3 →The Diels Alder Cycloaddition
- 23:2623:26, 26 February 2009 diff hist −613 Rep:Mod:cjmodule3 →Optimisations of ''Endo'' and ''Exo'' Transition States
- 23:2323:23, 26 February 2009 diff hist +237 Rep:Mod:cjmodule3 →Reference
- 23:1923:19, 26 February 2009 diff hist +693 Rep:Mod:cjmodule3 →Molecular Orbitals of ''Endo'' and ''Exo'' Transition States
- 23:0123:01, 26 February 2009 diff hist 0 Rep:Mod:cjmodule3 →Optimisation and MOs Generation of ''cis''-butadiene
- 23:0023:00, 26 February 2009 diff hist +8 Rep:Mod:cjmodule3 →Optimisation and MOs Generation of ''cis''-butadiene
- 22:5822:58, 26 February 2009 diff hist −2 Rep:Mod:cjmodule3 →Molecular Orbitals of Transition State
- 22:5622:56, 26 February 2009 diff hist +6 Rep:Mod:cjmodule3 →Molecular Orbitals of Transition State
- 22:5522:55, 26 February 2009 diff hist 0 N File:Fragments TS AM1 opt freq MOs HOMO CD al.JPG No edit summary current
- 22:5422:54, 26 February 2009 diff hist 0 N File:Fragments TS AM1 opt freq MOs LUMO CD al.JPG No edit summary current
- 22:4522:45, 26 February 2009 diff hist 0 Rep:Mod:cjmodule3 →Optimisation and MOs Generation of ''cis''-butadiene
- 22:4222:42, 26 February 2009 diff hist +117 Rep:Mod:cjmodule3 →Intrinsic Reaction Coordinate (IRC)
- 22:3722:37, 26 February 2009 diff hist 0 Rep:Mod:cjmodule3 →Optimisations of ''Endo'' and ''Exo'' Transition States
- 22:3622:36, 26 February 2009 diff hist +106 Rep:Mod:cjmodule3 →Study of Regioselectivity of the Diels-Alder Reaction
- 22:3322:33, 26 February 2009 diff hist +46 Rep:Mod:cjmodule3 →Molecular Orbitals of Transition State
- 22:3122:31, 26 February 2009 diff hist +118 Rep:Mod:cjmodule3 →Molecular Orbitals of Transition State
- 12:3912:39, 26 February 2009 diff hist 0 Rep:Mod:cjmodule3 →Geometries of ''Endo'' and ''Exo'' Transition States
- 12:2812:28, 26 February 2009 diff hist +1 Rep:Mod:cjmodule3 →Molecular Orbitals of ''Endo'' and ''Exo'' Transition States
- 12:2812:28, 26 February 2009 diff hist 0 N File:MO summary 1.JPG No edit summary current
- 01:2101:21, 26 February 2009 diff hist +137 Rep:Mod:cjmodule3 →Reference
- 01:1301:13, 26 February 2009 diff hist +15 Rep:Mod:cjmodule3 →Molecular Orbitals of ''Endo'' and ''Exo'' Transition States
- 01:1101:11, 26 February 2009 diff hist +219 Rep:Mod:cjmodule3 →Molecular Orbitals of ''Endo'' and ''Exo'' Transition States
- 01:0301:03, 26 February 2009 diff hist +148 Rep:Mod:cjmodule3 →Geometries of ''Endo'' and ''Exo'' Transition States