User contributions for Nao09
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16 December 2011
- 17:1317:13, 16 December 2011 diff hist −77 Rep:Mod:RUNAOns3 →Chair Transition State Intrinsic Reaction Co-ordinate
- 17:1217:12, 16 December 2011 diff hist 0 N File:TS frozen coord IRC 100points graph.PNG No edit summary current
- 17:1017:10, 16 December 2011 diff hist +196 Rep:Mod:RUNAOns3 →Activation Energies
- 17:0617:06, 16 December 2011 diff hist +53 Rep:Mod:RUNAOns3 →Activation Energies
- 17:0117:01, 16 December 2011 diff hist +43 Rep:Mod:RUNAOns3 →Activation Energies
- 16:5916:59, 16 December 2011 diff hist +13 Rep:Mod:RUNAOns3 →Activation Energies
- 16:5816:58, 16 December 2011 diff hist +29 Rep:Mod:RUNAOns3 →Activation Energies
- 16:5616:56, 16 December 2011 diff hist +5 Rep:Mod:RUNAOns3 →Activation Energies
- 16:5216:52, 16 December 2011 diff hist +3 Rep:Mod:RUNAOns3 →Activation Energies
- 16:2416:24, 16 December 2011 diff hist +6 Rep:Mod:RUNAOns3 →Activation Energies
- 16:2316:23, 16 December 2011 diff hist +3 Rep:Mod:RUNAOns3 →Boat Transition State Intrinsic Reaction Co-ordinate
- 16:2216:22, 16 December 2011 diff hist +62 Rep:Mod:RUNAOns3 →Boat Transition State Intrinsic Reaction Co-ordinate
- 16:2116:21, 16 December 2011 diff hist 0 Rep:Mod:RUNAOns3 →Intrinsic Reaction Co-ordinate
- 16:2016:20, 16 December 2011 diff hist 0 Rep:Mod:RUNAOns3 →Intrinsic Reaction Co-ordinate
- 16:1616:16, 16 December 2011 diff hist −107 Rep:Mod:RUNAOns3 →Intrinsic Reaction Co-ordinate
- 16:1516:15, 16 December 2011 diff hist 0 N File:Endo last tsberny dash DFT IRC.PNG No edit summary current
- 16:1516:15, 16 December 2011 diff hist 0 N File:Exo last tsberny dash DFT IRC.PNG No edit summary current
- 16:1516:15, 16 December 2011 diff hist 0 N File:Exo last tsberny dash DFT IRC.mol2 No edit summary current
- 16:1316:13, 16 December 2011 diff hist 0 N File:Endo last tsberny dash DFT IRC.mol2 No edit summary current
- 16:1316:13, 16 December 2011 diff hist +610 Rep:Mod:RUNAOns3 →Intrinsic Reaction Co-ordinate
- 15:5715:57, 16 December 2011 diff hist +51 Rep:Mod:RUNAOns3 →Intrinsic Reaction Co-ordinate
- 15:5315:53, 16 December 2011 diff hist −10 Rep:Mod:RUNAOns3 →Transition State Analysis
- 15:4815:48, 16 December 2011 diff hist +30 Rep:Mod:RUNAOns3 →Transition State Analysis
- 15:3815:38, 16 December 2011 diff hist 0 N File:AM1 diels IRC.PNG No edit summary current
- 15:3815:38, 16 December 2011 diff hist 0 N File:Boat IRC.PNG No edit summary
- 15:3815:38, 16 December 2011 diff hist +1 Rep:Mod:RUNAOns3 →Transition State Analysis
- 15:3515:35, 16 December 2011 diff hist +4 Rep:Mod:RUNAOns3 →Boat Transition State Intrinsic Reaction Co-ordinate
- 15:1215:12, 16 December 2011 diff hist −2 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 15:1115:11, 16 December 2011 diff hist +60 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 15:1015:10, 16 December 2011 diff hist +15 Rep:Mod:RUNAOns3 →Optimization to TS(BERNY) Transition State Using HF/3-21G Theory Level
- 14:4414:44, 16 December 2011 diff hist −60 Rep:Mod:RUNAOns3 →Boat Transition State Intrinsic Reaction Co-ordinate
- 14:4314:43, 16 December 2011 diff hist 0 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 14:4214:42, 16 December 2011 diff hist −70 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 14:4214:42, 16 December 2011 diff hist 0 N File:Linear TS image TS.PNG No edit summary current
- 14:3814:38, 16 December 2011 diff hist 0 N File:Linear TS image 2.PNG No edit summary current
- 14:3814:38, 16 December 2011 diff hist 0 N File:Linear TS image.PNG No edit summary current
- 14:3314:33, 16 December 2011 diff hist +223 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 14:2914:29, 16 December 2011 diff hist 0 N File:Linear TS OPT FREQ layout 2but1.PNG No edit summary current
- 14:2914:29, 16 December 2011 diff hist 0 N File:Linear TS OPT FREQ layout.PNG No edit summary current
- 14:2914:29, 16 December 2011 diff hist 0 N File:Linear TS OPT FREQ 2 -84014 vib.gif No edit summary current
- 14:2814:28, 16 December 2011 diff hist +74 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 14:1814:18, 16 December 2011 diff hist +114 Rep:Mod:RUNAOns3 →QST2 Transition Opimization Method
- 14:0914:09, 16 December 2011 diff hist +1 Rep:Mod:RUNAOns3 →Frozen Coordinates Transition State Optimization method
- 13:5713:57, 16 December 2011 diff hist −2 Rep:Mod:RUNAOns3 →Optimization to TS(BERNY) Transition State Using HF/3-21G Theory Level
- 13:5613:56, 16 December 2011 diff hist 0 N File:Ally fragment TS vib.gif No edit summary current
- 13:5213:52, 16 December 2011 diff hist +128 Rep:Mod:RUNAOns3 →Diels-Alder Reaction between Maleic Anhydride and 1,3-Cyclohexadiene
- 13:4713:47, 16 December 2011 diff hist +444 Rep:Mod:RUNAOns3 →Diels-Alder Reaction between Maleic Anhydride and 1,3-Cyclohexadiene
- 13:2913:29, 16 December 2011 diff hist +296 Rep:Mod:RUNAOns3 →Transition State Analysis
- 13:1313:13, 16 December 2011 diff hist +494 Rep:Mod:RUNAOns3 →Transition State Analysis
- 13:0413:04, 16 December 2011 diff hist +20 Rep:Mod:RUNAOns3 →Transition State Analysis