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User contributions for Jy1109

Results for Jy1109 talk block log uploads logs

A user with 421 edits. Account created on 21 November 2009.

08:5708:57, 10 November 2011 diff hist 0 N File:Part iii cyclohex HOMO.PNG No edit summary current
07:4207:42, 10 November 2011 diff hist 0 N File:Part iii reaction.png No edit summary current

17:3217:32, 9 November 2011 diff hist −4 Rep:Mod3:YJY1234 →Optimization of the transition state
17:3017:30, 9 November 2011 diff hist +14 Rep:Mod3:YJY1234 →Molecular Orbitals of the Transition State Structure
17:3017:30, 9 November 2011 diff hist −6 Rep:Mod3:YJY1234 →Molecular Orbitals of the Transition State Structure
17:2917:29, 9 November 2011 diff hist +2,315 Rep:Mod3:YJY1234 →Computation of the transition state geometry for the prototype reaction and an examination of the nature of the reaction path
17:0617:06, 9 November 2011 diff hist 0 N File:Part ii LUMO.PNG No edit summary current
17:0617:06, 9 November 2011 diff hist 0 N File:PART ii HOMO.PNG No edit summary current
16:4016:40, 9 November 2011 diff hist 0 N File:Part ii labelled diagram after optimization.PNG No edit summary current
15:5415:54, 9 November 2011 diff hist +2,194 Rep:Mod3:YJY1234 →Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
15:4815:48, 9 November 2011 diff hist 0 N File:Part ii opt after unfreeze.PNG No edit summary current
15:3515:35, 9 November 2011 diff hist 0 N File:Part ii after opt using freezing coordinate.PNG No edit summary current
15:1815:18, 9 November 2011 diff hist 0 N File:Part ii transition state before opt.PNG No edit summary current
15:1315:13, 9 November 2011 diff hist 0 N File:Prototype reac.png No edit summary current
15:0315:03, 9 November 2011 diff hist +1,182 Rep:Mod3:YJY1234 →The Diels Alder cycloaddition
15:0115:01, 9 November 2011 diff hist 0 N File:Part i LUMO.PNG No edit summary current
14:5914:59, 9 November 2011 diff hist 0 N File:Part i HOMO.PNG No edit summary current

18:0418:04, 8 November 2011 diff hist +307 Rep:Mod3:YJY1234 →The Diels Alder cycloaddition
16:4516:45, 8 November 2011 diff hist +1,222 Rep:Mod3:YJY1234 →The Diels Alder cycloaddition

19:5219:52, 6 November 2011 diff hist −3 Rep:Mod3:YJY1234 →Optimizing the reactants and products
14:3714:37, 6 November 2011 diff hist −53 Rep:Mod3:YJY1234 →Optimizing the boat transition structure
14:3714:37, 6 November 2011 diff hist +544 Rep:Mod3:YJY1234 →Using the frozen coordinate method
14:1914:19, 6 November 2011 diff hist +26 Rep:Mod3:YJY1234 →Optimizaing the chair transition structure
14:1914:19, 6 November 2011 diff hist −6 Rep:Mod3:YJY1234 →Using Hartree Fock and basis set 3-21G
14:1714:17, 6 November 2011 diff hist +872 Rep:Mod3:YJY1234 →Optimizaing the chair transition structure
14:1614:16, 6 November 2011 diff hist 0 N File:Imaginary frequency in part b.gif No edit summary current
14:1114:11, 6 November 2011 diff hist 0 N File:Optimized strcuture for b.PNG No edit summary current
13:3413:34, 6 November 2011 diff hist 0 N File:Mimic transition state.PNG No edit summary current
11:4911:49, 6 November 2011 diff hist −530 Rep:Mod3:YJY1234 →Optimizing the reactants and products
11:3511:35, 6 November 2011 diff hist 0 N File:IR spectrum for part g.PNG No edit summary current
00:1100:11, 6 November 2011 diff hist +119 Rep:Mod3:YJY1234 →Optimizing the reactants and products

22:1722:17, 5 November 2011 diff hist 0 N File:App optimization -labelled,DFT.PNG No edit summary current
22:1622:16, 5 November 2011 diff hist 0 N File:App optimization - labelled,HF,3-21G.PNG No edit summary current
22:1422:14, 5 November 2011 diff hist +854 Rep:Mod3:YJY1234 →Optimizing the reactants and products
20:4720:47, 5 November 2011 diff hist +299 Rep:Mod3:YJY1234 →Optimizing the reactants and products
20:1220:12, 5 November 2011 diff hist 0 N File:Gauche optimization in part c.PNG No edit summary current

23:4023:40, 3 November 2011 diff hist +802 Rep:Mod3:YJY1234 →The cope Rearrangement Tutorial
23:2923:29, 3 November 2011 diff hist 0 N File:Gauch optimization sideway view.PNG No edit summary current
23:0823:08, 3 November 2011 diff hist 0 N File:Gauche optimization.PNG No edit summary current
23:0823:08, 3 November 2011 diff hist 0 N File:App optimization.PNG No edit summary current
18:0418:04, 3 November 2011 diff hist +481 Rep:Mod3:YJY1234 →Optimizing the "chair" and "boat" transition structures
15:5415:54, 3 November 2011 diff hist +60 Rep:Mod3:YJY1234 →Optimizing the reactants and products
15:5315:53, 3 November 2011 diff hist +2,013 Rep:Mod3:YJY1234 →Optimizing the reactants and products
12:4712:47, 3 November 2011 diff hist +587 N Rep:Mod3:YJY1234 Created page with "mod 3 =The cope Rearrangement Tutorial= ==Optimizing the reactants and products== (a)Energy of the "anti" linkage (app) optimization:-232.59054017 a.u.; Point group: C<sub>i</..."

17:0517:05, 1 November 2011 diff hist 0 File:1.gjf uploaded a new version of "File:1.gjf": Reverted to version as of 17:04, 1 November 2011 current

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