User contributions for Tna08
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29 March 2011
- 21:2521:25, 29 March 2011 diff hist +2,297 Rep:Mod3timarbab →Optimising the Transition State
- 21:1721:17, 29 March 2011 diff hist −65 Rep:Mod3timarbab →Optimising the reactants and products
- 21:1521:15, 29 March 2011 diff hist 0 Rep:Mod3timarbab →Diels Alder Cycloaddition Between Cyclohexa-1,3-diene and Maleic Anhydride
- 21:1521:15, 29 March 2011 diff hist 0 Rep:Mod3timarbab →Visualising the Molecular Orbitals of the Transition State
- 21:1421:14, 29 March 2011 diff hist +3 Rep:Mod3timarbab →Optimising the Reactants
- 21:1321:13, 29 March 2011 diff hist +26 Rep:Mod3timarbab →Optimising the Reactants
- 21:1221:12, 29 March 2011 diff hist 0 N File:Cyclohexa13dieneAM1jmoltim.mol No edit summary current
- 21:1121:11, 29 March 2011 diff hist 0 N File:MaleicAM1jmoltim.mol No edit summary current
- 21:0621:06, 29 March 2011 diff hist +702 Rep:Mod3timarbab →Visualising the Molecular Orbitals of the Transition State
- 20:5320:53, 29 March 2011 diff hist −263 Rep:Mod3timarbab →Optimising the Transition State
- 20:5320:53, 29 March 2011 diff hist +1,735 Rep:Mod3timarbab →Optimising the Transition State
- 20:3220:32, 29 March 2011 diff hist −310 Rep:Mod3timarbab →Optimising the reactants and products
- 20:2820:28, 29 March 2011 diff hist −8 Rep:Mod3timarbab →Optimising the Transition State
- 20:2720:27, 29 March 2011 diff hist +12 Rep:Mod3timarbab →Optimising the Transition State
- 20:2720:27, 29 March 2011 diff hist +13 Rep:Mod3timarbab →Optimising the Transition State
- 20:2620:26, 29 March 2011 diff hist +1,004 Rep:Mod3timarbab →Optimising the Transition State
- 20:0620:06, 29 March 2011 diff hist 0 N File:CYCLO1DFTTStim.jpg No edit summary current
- 20:0520:05, 29 March 2011 diff hist 0 N File:CYCLO1DFTRCMtim.jpg No edit summary current
- 20:0520:05, 29 March 2011 diff hist 0 N File:CYCLO1AM1RCMtim.jpg No edit summary current
- 20:0520:05, 29 March 2011 diff hist 0 N File:CYCLO1AM1TStim.jpg No edit summary current
- 20:0320:03, 29 March 2011 diff hist +192 Rep:Mod3timarbab →Optimising the Transition State
- 18:4718:47, 29 March 2011 diff hist +1,238 Rep:Mod3timarbab →Optimising the Reactants
- 18:2118:21, 29 March 2011 diff hist +369 Rep:Mod3timarbab →Optimising the Transition State
- 18:1518:15, 29 March 2011 diff hist 0 Rep:Mod3timarbab →Visualising the Molecular Orbitals of the Transition State
- 18:0518:05, 29 March 2011 diff hist 0 Rep:Mod3timarbab →Optimising the Transition State
28 March 2011
- 21:4321:43, 28 March 2011 diff hist 0 Rep:Mod3timarbab →Optimising the Transition State
- 21:3621:36, 28 March 2011 diff hist +7 Rep:Mod3timarbab →Visualising the Molecular Orbitals of the Transition State
- 21:3621:36, 28 March 2011 diff hist 0 Rep:Mod3timarbab →Diels Alder Cycloaddition Between Cyclohexa-1,3-diene and Maleic Anhydride
- 21:3621:36, 28 March 2011 diff hist 0 Rep:Mod3timarbab →Optimising the Reactants
- 21:3421:34, 28 March 2011 diff hist 0 Rep:Mod3timarbab →Optimising the Transition State
- 21:3421:34, 28 March 2011 diff hist +23 Rep:Mod3timarbab →Optimising the Transition State
- 21:3221:32, 28 March 2011 diff hist −41 Rep:Mod3timarbab →Optimising the Transition State
- 21:3121:31, 28 March 2011 diff hist +552 Rep:Mod3timarbab →Visualising the Molecular Orbitals of the Transition State
- 21:3021:30, 28 March 2011 diff hist 0 N File:DFT TS LUMOtim.jpg No edit summary current
- 21:2921:29, 28 March 2011 diff hist 0 N File:DFT TS HOMOTIM.jpg No edit summary current
- 21:2021:20, 28 March 2011 diff hist +14 Rep:Mod3timarbab →Optimising the Transition State
- 21:1421:14, 28 March 2011 diff hist 0 Rep:Mod3timarbab →Optimising the Transition State
- 21:1221:12, 28 March 2011 diff hist +2,363 Rep:Mod3timarbab →Optimising the Transition State
- 20:5820:58, 28 March 2011 diff hist 0 N File:DFTFrozenCoordFreqtim.out No edit summary current
- 20:5620:56, 28 March 2011 diff hist 0 N File:DFTTS 3Freqtim.out No edit summary current
- 20:5320:53, 28 March 2011 diff hist 0 N File:DFTTS 3tim.out No edit summary current
- 20:5320:53, 28 March 2011 diff hist 0 N File:DFTTS 3jmoltim.mol No edit summary current
- 20:5020:50, 28 March 2011 diff hist 0 N File:DFTFrozenCoordpart2tim.out No edit summary current
- 20:4920:49, 28 March 2011 diff hist 0 N File:DFTFrozenCoordpart2jmoltim.mol No edit summary current
- 20:4620:46, 28 March 2011 diff hist 0 N File:AM1TS 3tim.out No edit summary current
- 20:4520:45, 28 March 2011 diff hist 0 N File:AM1TS 3jmoltim.mol No edit summary current
- 20:4320:43, 28 March 2011 diff hist 0 N File:AM1FrozenCoordpart2 2tim.out No edit summary current
- 20:4020:40, 28 March 2011 diff hist 0 N File:AM1FrozenCoordpart2 2tim.mol No edit summary current
- 20:2320:23, 28 March 2011 diff hist +314 Rep:Mod3timarbab →Optimising the Reactants
- 20:2320:23, 28 March 2011 diff hist 0 N File:ButadieneLUMOtim.jpg No edit summary current