User contributions for Ly308

16 December 2010

• 01:2101:21, 16 December 2010 diff hist +153 Rep:Mod:mariuspontmercy No edit summary
• 01:2001:20, 16 December 2010 diff hist +214 Rep:Mod:mariuspontmercy →Molecular Orbitals
• 01:1901:19, 16 December 2010 diff hist 0 N File:ENDO TS MO.LOG No edit summary current
• 01:1901:19, 16 December 2010 diff hist 0 N File:EXO TS MO.LOG No edit summary current
• 01:1801:18, 16 December 2010 diff hist +20 Rep:Mod:mariuspontmercy →Optimisation
• 01:1701:17, 16 December 2010 diff hist +294 Rep:Mod:mariuspontmercy →Optimisation
• 01:1601:16, 16 December 2010 diff hist 0 N File:EXO TS OPT+FREQ.LOG No edit summary current
• 01:1201:12, 16 December 2010 diff hist +14 Rep:Mod:mariuspontmercy →Activation Energy
• 01:1201:12, 16 December 2010 diff hist +288 Rep:Mod:mariuspontmercy →Activation Energy
• 01:1001:10, 16 December 2010 diff hist 0 N File:ETHENE OPT+FREQ (DFT).LOG No edit summary current
• 01:1001:10, 16 December 2010 diff hist 0 N File:BUTADIENE FREQ-DFT.LOG No edit summary current
• 01:0901:09, 16 December 2010 diff hist 0 N File:ETHENE OPT+freq (DFT).gjf No edit summary current
• 01:0901:09, 16 December 2010 diff hist 0 N File:BUTADIENE Freq-DFT.gjf No edit summary current
• 01:0601:06, 16 December 2010 diff hist +102 Rep:Mod:mariuspontmercy →Optimisation/Geometry
• 01:0601:06, 16 December 2010 diff hist 0 N File:TS OPT2 MOD-RED.LOG No edit summary current
• 01:0401:04, 16 December 2010 diff hist +46 Rep:Mod:mariuspontmercy No edit summary
• 01:0301:03, 16 December 2010 diff hist +7 Rep:Mod:mariuspontmercy →Ex 1: HOMO & LUMO of Reactants
• 01:0301:03, 16 December 2010 diff hist +233 Rep:Mod:mariuspontmercy →Ex 1: HOMO & LUMO of Reactants
• 01:0301:03, 16 December 2010 diff hist 0 N File:ETHENE MO.LOG No edit summary
• 01:0201:02, 16 December 2010 diff hist 0 N File:BUTADIENE MO.LOG No edit summary
• 00:5900:59, 16 December 2010 diff hist +445 Rep:Mod:mariuspontmercy →Ex 3: Regioselectivity
• 00:5700:57, 16 December 2010 diff hist +281 Rep:Mod:mariuspontmercy →Ex 3: Regioselectivity
• 00:5400:54, 16 December 2010 diff hist +7 Rep:Mod:mariuspontmercy →Activation Energy
• 00:5300:53, 16 December 2010 diff hist +153 Rep:Mod:mariuspontmercy →Activation Energy
• 00:5000:50, 16 December 2010 diff hist +43 Rep:Mod:mariuspontmercy →Optimisation of ''Boat'' Product
• 00:4700:47, 16 December 2010 diff hist +69 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
• 00:4500:45, 16 December 2010 diff hist −1 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
• 00:4500:45, 16 December 2010 diff hist +6 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
• 00:4400:44, 16 December 2010 diff hist +79 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
• 00:4000:40, 16 December 2010 diff hist +45 Rep:Mod:mariuspontmercy →Optimisation of ''Anti-2'': HF/3-21G & DFT/B3LYP/6-31G(d)
• 00:3900:39, 16 December 2010 diff hist +52 Rep:Mod:mariuspontmercy →Thermochemistry of ''Anti-2'': HF/3-21G & DFT/B3LYP/6-31G(d)
• 00:3400:34, 16 December 2010 diff hist −26 Rep:Mod:mariuspontmercy No edit summary
• 00:3400:34, 16 December 2010 diff hist +5 Rep:Mod:mariuspontmercy No edit summary
• 00:3400:34, 16 December 2010 diff hist +21 Rep:Mod:mariuspontmercy No edit summary
• 00:3300:33, 16 December 2010 diff hist +112 Rep:Mod:mariuspontmercy →Optimisation of ''Anti-2'': HF/3-21G & DFT/B3LYP/6-31G(d)
• 00:3300:33, 16 December 2010 diff hist 0 N File:HEXADIENE ANTI2 DFT opt.LOG No edit summary current
• 00:3200:32, 16 December 2010 diff hist −3 Rep:Mod:mariuspontmercy →Conformers of 1,5-hexadiene: HF/3-21G
• 00:3100:31, 16 December 2010 diff hist +345 Rep:Mod:mariuspontmercy →Conformers of 1,5-hexadiene: HF/3-21G
• 00:3100:31, 16 December 2010 diff hist 0 N File:HEXADIENE GAUCHE3 OPT.LOG No edit summary
• 00:3100:31, 16 December 2010 diff hist 0 N File:HEXADIENE ANTI.2LOG No edit summary current
• 00:2900:29, 16 December 2010 diff hist 0 N File:HEXADIENE ANTI1.LOG No edit summary current
• 00:2700:27, 16 December 2010 diff hist +359 Rep:Mod:mariuspontmercy →Cope Rearrangement
• 00:2400:24, 16 December 2010 diff hist −37 Rep:Mod:mariuspontmercy →Optimisation/Geometry
• 00:1700:17, 16 December 2010 diff hist +4 Rep:Mod:mariuspontmercy →Geometries
• 00:1600:16, 16 December 2010 diff hist +170 Rep:Mod:mariuspontmercy →Geometries
• 00:1200:12, 16 December 2010 diff hist +48 Rep:Mod:mariuspontmercy →Geometries
• 00:1100:11, 16 December 2010 diff hist +6 Rep:Mod:mariuspontmercy →Geometries
• 00:1000:10, 16 December 2010 diff hist +322 Rep:Mod:mariuspontmercy →Geometries
• 00:0800:08, 16 December 2010 diff hist 0 N File:Secondary orb endo.jpg No edit summary current
• 00:0700:07, 16 December 2010 diff hist 0 N File:Secondary orb exo.jpg No edit summary current