User contributions for Mc1508
Appearance
21 March 2011
- 21:5721:57, 21 March 2011 diff hist 0 N File:5b IRC Boat Molecule Diag.jpg No edit summary current
- 21:5121:51, 21 March 2011 diff hist 0 Rep:Schlosskat →Optimisation of the Transition States
- 21:5121:51, 21 March 2011 diff hist +189 Rep:Schlosskat →Optimisation of the Transition States
- 21:5021:50, 21 March 2011 diff hist 0 N File:5b IRC3 Molecule Diag.jpg No edit summary current
- 21:5021:50, 21 March 2011 diff hist 0 N File:5b IRC3 RMS Diag.jpg No edit summary current
- 21:4921:49, 21 March 2011 diff hist 0 N File:5b IRC3 Total Energy Diag.jpg No edit summary current
- 21:4621:46, 21 March 2011 diff hist +42 Rep:Schlosskat →Following the reaction pathway (IRC)
- 21:4621:46, 21 March 2011 diff hist 0 N File:5b IRC2 Molecule Diag.jpg No edit summary current
- 21:4521:45, 21 March 2011 diff hist +99 Rep:Schlosskat →Optimisation of the Transition States
- 21:4321:43, 21 March 2011 diff hist 0 N File:5b IRC2 Total Energy Diag.jpg No edit summary current
- 21:4321:43, 21 March 2011 diff hist 0 N File:5b IRC2 RMS Diag.jpg No edit summary current
- 14:4114:41, 21 March 2011 diff hist +69 Rep:Schlosskat →Vibrational Analysis
18 March 2011
- 16:5416:54, 18 March 2011 diff hist +63 Rep:Schlosskat →Vibrational Analysis
- 16:5316:53, 18 March 2011 diff hist +602 Rep:Schlosskat →Molecular Orbital Analysis
- 16:5016:50, 18 March 2011 diff hist 0 N File:Envcrappo animation -956s.gif No edit summary current
- 16:5016:50, 18 March 2011 diff hist 0 N File:Envcrappo animation 148s.gif No edit summary current
- 16:4216:42, 18 March 2011 diff hist +567 Rep:Schlosskat →Optimisation of the Transition State
- 16:3916:39, 18 March 2011 diff hist 0 N File:Envcrappo1 LUMO.jpg No edit summary current
- 16:3916:39, 18 March 2011 diff hist 0 N File:Envcrappo1 HOMO.jpg No edit summary current
- 16:2416:24, 18 March 2011 diff hist 0 Rep:Schlosskat →Optimisation of the Transition State
- 16:2416:24, 18 March 2011 diff hist 0 Rep:Schlosskat →Optimisation of the Transition State
- 16:2316:23, 18 March 2011 diff hist 0 Rep:Schlosskat →Optimisation of the Transition State
- 16:2316:23, 18 March 2011 diff hist −40 Rep:Schlosskat →Optimisation of the Transition State
- 16:2216:22, 18 March 2011 diff hist +905 Rep:Schlosskat →Optimisation of the Transition State
- 16:1416:14, 18 March 2011 diff hist +270 Rep:Schlosskat →Optimisation of the Transition State
- 16:1316:13, 18 March 2011 diff hist 0 N File:Envcrappo 3D diag numbered.jpg No edit summary current
- 16:0516:05, 18 March 2011 diff hist +791 Rep:Schlosskat →Optimisation of Cis-Butadiene and Ethylene
- 16:0516:05, 18 March 2011 diff hist 0 N File:Envcrappo1 animations.gif No edit summary current
- 16:0416:04, 18 March 2011 diff hist 0 N File:Envcrappo animations.gif No edit summary current
- 15:4615:46, 18 March 2011 diff hist +57 Rep:Schlosskat →Optimisation of Cis-Butadiene and Ethylene
- 15:4515:45, 18 March 2011 diff hist +748 Rep:Schlosskat →Diels-Alder Cycloaddition
- 15:4115:41, 18 March 2011 diff hist 0 N File:ETHYLENE OPT1 LUMO.jpg No edit summary current
- 15:4015:40, 18 March 2011 diff hist 0 N File:ETHYLENE OPT1 HOMO.jpg No edit summary current
- 15:4015:40, 18 March 2011 diff hist 0 N File:BUTADIENE OPT1 LUMO Diag.jpg No edit summary current
- 15:3915:39, 18 March 2011 diff hist 0 N File:BUTADIENE OPT1 HOMO Diag.jpg No edit summary current
- 15:3515:35, 18 March 2011 diff hist +80 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies
17 March 2011
- 17:3317:33, 17 March 2011 diff hist +16 Rep:Schlosskat →Following the Reaction Pathway (IRC)
- 17:3217:32, 17 March 2011 diff hist +241 Rep:Schlosskat →Boat Transition State
- 17:3017:30, 17 March 2011 diff hist −6 Rep:Schlosskat →Following the reaction pathway (IRC)
- 17:3017:30, 17 March 2011 diff hist +49 Rep:Schlosskat →Following the reaction pathway (IRC)
- 17:2917:29, 17 March 2011 diff hist +253 Rep:Schlosskat →Chair Transition State
- 17:2017:20, 17 March 2011 diff hist +29 Rep:Schlosskat →Optimising the Boat Transition State
- 17:1917:19, 17 March 2011 diff hist +48 Rep:Schlosskat →Optimising the Boat Transition State
- 17:1817:18, 17 March 2011 diff hist +48 Rep:Schlosskat →Optimising the Chair Transition State
- 17:1617:16, 17 March 2011 diff hist −2 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies
- 17:1617:16, 17 March 2011 diff hist −4 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies
- 17:1617:16, 17 March 2011 diff hist +26 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies
- 17:1517:15, 17 March 2011 diff hist +7 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies
- 17:1517:15, 17 March 2011 diff hist +127 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies
- 17:1417:14, 17 March 2011 diff hist +103 Rep:Schlosskat →Optimising using DFT/B3LYP for Activation Energies