User contributions for Dl2310
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4 December 2012
- 15:0515:05, 4 December 2012 diff hist +39 Rep:Mod3:DL2310 →The mechanism /pethway
- 14:5214:52, 4 December 2012 diff hist +32 Rep:Mod3:DL2310 →method 2
- 14:4914:49, 4 December 2012 diff hist +163 Rep:Mod3:DL2310 →method 2
- 14:4914:49, 4 December 2012 diff hist 0 N File:BoatTSimaginaryvibrationzoomedin.gif No edit summary current
- 14:4614:46, 4 December 2012 diff hist 0 N File:BoatTSimaginaryvibration.gif No edit summary current
- 14:4014:40, 4 December 2012 diff hist +1,093 Rep:Mod3:DL2310 →The Boat TS
- 14:3614:36, 4 December 2012 diff hist 0 N File:BoatTStrial2.png No edit summary current
- 14:3614:36, 4 December 2012 diff hist 0 N File:Productboatts.png No edit summary current
- 14:3514:35, 4 December 2012 diff hist 0 N File:ReactantboatTS.png No edit summary current
- 14:3314:33, 4 December 2012 diff hist 0 N File:BOATTSTRIAL2.LOG No edit summary current
- 13:5613:56, 4 December 2012 diff hist +45 Rep:Mod3:DL2310 →Optimising the "chair" and "boat" structures
- 13:5513:55, 4 December 2012 diff hist +19 Rep:Mod3:DL2310 →Comparison of the two methods of optimisation of the chair TS
- 13:5513:55, 4 December 2012 diff hist +23 Rep:Mod3:DL2310 →Comparison of the two methods of optimisation of the chair TS
- 13:5413:54, 4 December 2012 diff hist +195 Rep:Mod3:DL2310 →Optimising the "chair" and "boat" structures
- 13:5113:51, 4 December 2012 diff hist +763 Rep:Mod3:DL2310 →Optimising the "chair" and "boat" structures
- 13:5113:51, 4 December 2012 diff hist 0 N File:CHAIRTSTRIAL4COORDFROZEN.LOG No edit summary current
- 13:4913:49, 4 December 2012 diff hist 0 N File:PartdofthechairTS.png No edit summary current
- 13:3813:38, 4 December 2012 diff hist +481 Rep:Mod3:DL2310 →Optimising the "chair" and "boat" structures
- 13:1513:15, 4 December 2012 diff hist +887 Rep:Mod3:DL2310 →Optimising the "chair" and "boat" structures
- 13:1313:13, 4 December 2012 diff hist 0 N File:ChairTSimaginaryvibration.gif No edit summary current
- 13:0813:08, 4 December 2012 diff hist 0 N File:TRIAL1CHAIRTS.LOG No edit summary current
- 12:4112:41, 4 December 2012 diff hist +632 Rep:Mod3:DL2310 →Optimising the "chair" and "boat" structures
- 12:4012:40, 4 December 2012 diff hist 0 N File:Allyl fragment HF3 21G.png No edit summary current
- 12:3912:39, 4 December 2012 diff hist 0 N File:ALLYL FRAGMENT HF3 21G.LOG No edit summary current
3 December 2012
- 18:2118:21, 3 December 2012 diff hist +5 Rep:Mod3:DL2310 →Frequency Analysis of 1,5 Hexadiene anti2 conformation
- 18:2018:20, 3 December 2012 diff hist 0 Rep:Mod3:DL2310 →Frequency Analysis of 1,5 Hexadiene anti2 conformation
- 18:2018:20, 3 December 2012 diff hist +931 Rep:Mod3:DL2310 →Frequency Analysis of 1,5 Hexadiene anti2 conformation
- 18:0918:09, 3 December 2012 diff hist +816 Rep:Mod3:DL2310 →Frequency Analysis of 1,5 Hexadiene anti2 conformation
- 18:0718:07, 3 December 2012 diff hist 0 N File:Antii2IR.png No edit summary current
- 17:5417:54, 3 December 2012 diff hist +432 Rep:Mod3:DL2310 →Optimisation of 1,5 Hexadiene anti2 conformation to the DFT/6-31Gd level
- 17:4317:43, 3 December 2012 diff hist 0 N File:ANTI26 31GD.LOG No edit summary current
- 17:4217:42, 3 December 2012 diff hist +265 Rep:Mod3:DL2310 →Conformational Analysis of 1,5 Hexadiene using the HF/3-21G basis set for optimisation
- 17:4217:42, 3 December 2012 diff hist 0 N File:DL2310MOLECULE1.LOG No edit summary current
- 17:4117:41, 3 December 2012 diff hist 0 N File:HEXADIENEGAUCHE1 3-21G.LOG No edit summary current
- 17:4017:40, 3 December 2012 diff hist 0 N File:HEXADIENEANTI3-21G.LOG No edit summary current
- 17:3917:39, 3 December 2012 diff hist 0 N File:DL2310Anti2.LOG No edit summary current
- 17:3817:38, 3 December 2012 diff hist 0 N File:DL2310Anti2.png No edit summary current
- 17:3717:37, 3 December 2012 diff hist 0 N File:DL2310Gauche6.png No edit summary current
- 17:3517:35, 3 December 2012 diff hist 0 N File:DL2310Anti1.png No edit summary current
- 17:2817:28, 3 December 2012 diff hist +771 Rep:Mod3:DL2310 →Optimisation of 1,5 Hexadiene anti2 conformation to the DFT/6-31Gd level
- 17:2617:26, 3 December 2012 diff hist +53 Rep:Mod3:DL2310 No edit summary
- 17:2517:25, 3 December 2012 diff hist +662 Rep:Mod3:DL2310 →Frequency Analysis of 1,5 Hexadiene anti2 conformation
- 17:2017:20, 3 December 2012 diff hist 0 N File:DL2310FREQUENCY.LOG No edit summary current
- 16:5516:55, 3 December 2012 diff hist +538 Rep:Mod3:DL2310 →Conformational Analysis of 1,5 Hexadiene using the HF/3-21G basis set for optimisation
- 16:5316:53, 3 December 2012 diff hist 0 N File:Gauche3molecule2.png No edit summary current
- 16:4116:41, 3 December 2012 diff hist 0 N File:DL2310GAUCHE3.LOG No edit summary current
- 16:3816:38, 3 December 2012 diff hist +495 Rep:Mod3:DL2310 →Conformational Analysis of 1,5 Hexadiene using the HF/3-21G basis set for optimisation
- 16:1316:13, 3 December 2012 diff hist 0 N File:Gauche5molecule1.png No edit summary current
- 15:4015:40, 3 December 2012 diff hist +20 Rep:Mod3:DL2310 →Conformational Analysis of 1,5 Hexadiene using the HF/3-21G basis set for optimisation
- 15:3915:39, 3 December 2012 diff hist +1,002 Rep:Mod3:DL2310 →Conformational Analysis of 1,5 Hexadiene using the HF/3-21G basis set for optimisation