User contributions for Rv108
Appearance
18 February 2011
- 16:2516:25, 18 February 2011 diff hist +152 Rep:Mod:rvirdee3 →''Transition States of Cycloaddition Reactions:''
- 16:2016:20, 18 February 2011 diff hist −6 Rep:Mod:rvirdee3 →'''Improvements of the Calculations:'''
- 16:2016:20, 18 February 2011 diff hist +990 Rep:Mod:rvirdee3 →'''Improvements of the Calculations:'''
- 16:1516:15, 18 February 2011 diff hist +45 Rep:Mod:rvirdee3 →''Comparing the Exo- and Endo- Products of the Reaction:''
- 16:0916:09, 18 February 2011 diff hist +85 Rep:Mod:rvirdee3 →''Introduction''
- 16:0916:09, 18 February 2011 diff hist +72 Rep:Mod:rvirdee3 →''Introduction''
- 16:0816:08, 18 February 2011 diff hist +62 Rep:Mod:rvirdee3 →''Introduction''
- 16:0716:07, 18 February 2011 diff hist +975 Rep:Mod:rvirdee3 →''Introduction''
- 15:5915:59, 18 February 2011 diff hist +1,137 Rep:Mod:rvirdee3 →'''Links to Calculation Output Files:'''
- 15:5815:58, 18 February 2011 diff hist 0 N File:ENDO PRODUCT OPTIMISATION.LOG No edit summary current
- 15:5815:58, 18 February 2011 diff hist 0 N File:EXO PRODUCT OPTIMISATION.LOG No edit summary current
- 15:5715:57, 18 February 2011 diff hist 0 N File:EXO TS ATTEMPT 1 OPT AND FREQ.LOG No edit summary current
- 15:5615:56, 18 February 2011 diff hist 0 N File:MALEIC ANYHDRIDE OPTIMISATION.LOG No edit summary current
- 15:5515:55, 18 February 2011 diff hist 0 N File:CYCLOHEXADIENE OPTIMISATION.LOG No edit summary current
- 15:5415:54, 18 February 2011 diff hist 0 N File:FINDING TS OF CYCLOADDITION ATTEMPT 1 FREQ ANAL.LOG No edit summary current
- 15:5415:54, 18 February 2011 diff hist 0 N File:FINDING TS OF CYCLOADDITION ATTEMPT 1.LOG No edit summary current
- 15:5215:52, 18 February 2011 diff hist 0 N File:ETHYLENE AM1 OPTIMISATION.LOG No edit summary current
- 15:5215:52, 18 February 2011 diff hist 0 N File:CIS BUTADIENE AM1 OPTIMISATION.LOG No edit summary current
- 15:5015:50, 18 February 2011 diff hist +46 Rep:Mod:rvirdee3 →''Transition States of Cycloaddition Reactions:''
- 15:4815:48, 18 February 2011 diff hist +917 Rep:Mod:rvirdee3 →'''Links to Calculation Output Files:'''
- 15:4815:48, 18 February 2011 diff hist 0 N File:CHAIR TS DFT OPIMISATION.LOG No edit summary current
- 15:4715:47, 18 February 2011 diff hist 0 N File:BOAT TS DFT OPTIMISATION.LOG No edit summary current
- 15:4615:46, 18 February 2011 diff hist 0 N File:CORRECT BOAT TS IRC.LOG No edit summary current
- 15:4315:43, 18 February 2011 diff hist 0 N File:WRONG BOAT TS IRC(done on super-computer).out No edit summary current
- 15:4015:40, 18 February 2011 diff hist 0 N File:FINDING BOAT TS ORIGINAL GEOMETRY.LOG No edit summary current
- 15:3915:39, 18 February 2011 diff hist 0 N File:CHAIR TS FROZEN COORDINATES BOND FORMING.LOG No edit summary current
- 15:3915:39, 18 February 2011 diff hist 0 N File:CHAIR TS FROZEN COORDINATES.LOG No edit summary current
- 15:3415:34, 18 February 2011 diff hist 0 N File:CHAIR TS GUESS OPT AND FREQ.LOG No edit summary current
- 15:3115:31, 18 February 2011 diff hist +659 Rep:Mod:rvirdee3 →'''Links to Calculation Output Files:'''
- 15:3115:31, 18 February 2011 diff hist 0 N File:DFT FREQUENCY CALCULATION ANTI 2 REACTANT.LOG No edit summary current
- 15:3115:31, 18 February 2011 diff hist 0 N File:DFT CALCULATION ANTI 2 REACTANT.LOG No edit summary current
- 15:3015:30, 18 February 2011 diff hist 0 N File:ANTI 2 REACTANT.LOG No edit summary current
- 15:2615:26, 18 February 2011 diff hist 0 N File:GAUCHE HIGH ENERGY REACTANT.LOG No edit summary current
- 15:2315:23, 18 February 2011 diff hist 0 N File:GAUCHE REACTANT.LOG No edit summary current
- 15:2115:21, 18 February 2011 diff hist −14 Rep:Mod:rvirdee3 →'''Links to Calculation Output Files:'''
- 15:2115:21, 18 February 2011 diff hist +233 Rep:Mod:rvirdee3 →'''Links to Calculation Output Files:'''
- 15:1915:19, 18 February 2011 diff hist 0 N File:ANTI REACTANT.LOG No edit summary current
- 15:1715:17, 18 February 2011 diff hist +46 Rep:Mod:rvirdee3 →''The Cope Rearrangement Tutorial''
- 15:0915:09, 18 February 2011 diff hist +530 Rep:Mod:rvirdee3 →''Finding the Endo- Transition State of the Reaction:''
- 15:0515:05, 18 February 2011 diff hist +3 Rep:Mod:rvirdee3 →''Finding the Endo- Transition State of the Reaction:''
- 15:0515:05, 18 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''Finding the Exo- Transition State of the Reaction:''
- 15:0515:05, 18 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''Finding the Exo- Transition State of the Reaction:''
- 15:0515:05, 18 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''Finding the Transition State of the Reaction:''
- 15:0415:04, 18 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''AM1 Optimisation of Maleic Anhydride:''
- 15:0415:04, 18 February 2011 diff hist −1 Rep:Mod:rvirdee3 →''Finding the Transition State of the Reaction:''
- 15:0415:04, 18 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''AM1 Optimisation of Ethylene''
- 15:0415:04, 18 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''AM1 Optimisation of cis-Butadiene:''
- 15:0315:03, 18 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
- 15:0315:03, 18 February 2011 diff hist +336 Rep:Mod:rvirdee3 →''Comparing the Exo- and Endo- Products of the Reaction:''
- 14:5914:59, 18 February 2011 diff hist +325 Rep:Mod:rvirdee3 →''Comparing the Exo- and Endo- Products of the Reaction:''