User contributions for Jp806

30 November 2008

• 17:0017:00, 30 November 2008 diff hist 0 N File:Jp806cisbutadieneHOMO.jpg No edit summary current
• 16:5616:56, 30 November 2008 diff hist −13 Rep:Mod:jp806physical →Exo
• 16:5516:55, 30 November 2008 diff hist −18 Rep:Mod:jp806physical →C_i Anti 1,5-hexadiene
• 16:5216:52, 30 November 2008 diff hist 0 N File:Jp806qst2imagfreq.jpg No edit summary current
• 16:5216:52, 30 November 2008 diff hist 0 N File:Jp806qst21.jpg No edit summary current
• 16:4816:48, 30 November 2008 diff hist 0 N File:Jp806qst2input.jpg No edit summary current
• 16:4616:46, 30 November 2008 diff hist 0 N File:Jp806tsmethod2 2.jpg No edit summary current
• 16:4516:45, 30 November 2008 diff hist +3 Rep:Mod:jp806physical →TS Method 2 part 2
• 16:4516:45, 30 November 2008 diff hist 0 N File:Jp806tsmethod2.jpg No edit summary current
• 16:4316:43, 30 November 2008 diff hist 0 N File:Jp806TSmethod1vib.jpg No edit summary current
• 16:4216:42, 30 November 2008 diff hist 0 N File:Jp806tsmethod1.jpg No edit summary current
• 16:4116:41, 30 November 2008 diff hist 0 N File:Jp806chairTSinitialguess.jpg No edit summary current
• 16:3916:39, 30 November 2008 diff hist 0 N File:Jp806allyl.jpg No edit summary current
• 16:3816:38, 30 November 2008 diff hist 0 N File:Jp806thermochemicaldatascreenshot.jpg No edit summary current
• 16:3616:36, 30 November 2008 diff hist 0 N File:Jp806ciHFdata.jpg No edit summary current
• 16:3616:36, 30 November 2008 diff hist 0 N File:Jp806ciDFTdata.jpg No edit summary current
• 16:3616:36, 30 November 2008 diff hist 0 N File:Jp806ciDFT.jpg No edit summary current
• 16:3516:35, 30 November 2008 diff hist 0 N File:Jp806ciHF.jpg No edit summary current
• 16:2716:27, 30 November 2008 diff hist 0 m Rep:Mod:jp806physical →Tutorial: The Cope Rearrangement
• 16:2516:25, 30 November 2008 diff hist 0 N File:Jp806gauchehexadiene.jpg No edit summary current
• 16:2516:25, 30 November 2008 diff hist 0 N File:Jp806antihexadiene.jpg No edit summary current

27 November 2008

• 20:3220:32, 27 November 2008 diff hist −172 Mod:Gaussian →Density Functional Theory<ref name="usersguide">Foresman & Frisch, Exploring Chemistry with Electronic Strucuture Methods, Gaussian Inc, Seconfd Edition, 1993</ref>
• 20:3020:30, 27 November 2008 diff hist +2,070 Mod:Gaussian →Density Functionals Theory (DFT)
• 20:3020:30, 27 November 2008 diff hist +612 Mod:Gaussian →Møller-Plesset Pertubation Theory (MP2)
• 13:4413:44, 27 November 2008 diff hist +2 Rep:Mod:jp806physical No edit summary
• 13:4313:43, 27 November 2008 diff hist +47 Rep:Mod:jp806physical No edit summary
• 13:4013:40, 27 November 2008 diff hist +6 Rep:Mod:jp806physical →Exo
• 13:4013:40, 27 November 2008 diff hist +5 Rep:Mod:jp806physical →Endo
• 13:3913:39, 27 November 2008 diff hist +5,536 Rep:Mod:jp806physical No edit summary

26 November 2008

• 20:5220:52, 26 November 2008 diff hist +189 Rep:Mod:jp806physical No edit summary
• 20:4520:45, 26 November 2008 diff hist +2,161 Rep:Mod:jp806physical No edit summary
• 19:2919:29, 26 November 2008 diff hist +3 Rep:Mod:jp806physical No edit summary
• 18:5118:51, 26 November 2008 diff hist +11,484 Rep:Mod:jp806physical No edit summary

20 November 2008

• 13:3313:33, 20 November 2008 diff hist +1 Mod:Gaussian No edit summary
• 13:3313:33, 20 November 2008 diff hist +85 Mod:Gaussian No edit summary
• 13:3213:32, 20 November 2008 diff hist −4 Mod:Gaussian No edit summary
• 13:3113:31, 20 November 2008 diff hist +170 Mod:Gaussian No edit summary
• 13:2713:27, 20 November 2008 diff hist 0 Mod:Gaussian →Optimisation Output
• 13:2613:26, 20 November 2008 diff hist 0 N File:Finalparameters.jpg No edit summary current
• 13:2613:26, 20 November 2008 diff hist 0 N File:InitialParameters.jpg No edit summary current
• 13:2513:25, 20 November 2008 diff hist −2 Mod:Gaussian →Optimisation Output
• 13:2513:25, 20 November 2008 diff hist −221 Mod:Gaussian No edit summary
• 13:1213:12, 20 November 2008 diff hist +4,402 N Mod:Gaussian New page: ===Aside 1: The Meaning of Optimisation in Gaussian<ref>Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>=== In order to ...

11 November 2008

• 13:1013:10, 11 November 2008 diff hist +4 Rep:Mod:jp806physical No edit summary
• 12:5512:55, 11 November 2008 diff hist +11 Rep:Mod:jp806physical No edit summary
• 12:5312:53, 11 November 2008 diff hist +20 N Rep:Mod:jp806physical New page: =Module 3: Physical=

10 November 2008

• 21:5721:57, 10 November 2008 diff hist +97 m Rep:Mod:jp806inorganicrewrite1 →Aside 1: The Meaning of Optimisation in Gaussian<ref name="usersguide"/>
• 18:4218:42, 10 November 2008 diff hist +186 Rep:Mod:jp806inorganicrewrite1 No edit summary
• 18:2618:26, 10 November 2008 diff hist −1 Rep:Mod:jp806inorganicrewrite2 →TM Complex Optimisation 1
• 18:2418:24, 10 November 2008 diff hist 0 N File:Jp806acisopt1.mol No edit summary current