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A user with 1,056 edits. Account created on 18 July 2008.
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21 October 2013

10 September 2013

1 May 2013

  • 13:4613:46, 1 May 2013 diff hist +507 N Talk:Mod:Rachel Gregory Mod3 Created page with " '''Introduction''' Short. '''Cope rearrangement''' Conformers successfully optimised. Good to discuss their relative energy. You should use the frequency calculation to che..." current
  • 13:4513:45, 1 May 2013 diff hist +608 N Talk:Mod:dd1991 physical Created page with " '''Introduction''' Good. '''Cope rearrangement''' All conformers successfully optimised. Good to discuss their relative energy. Good interpretation of the frequency calculat..." current
  • 13:4313:43, 1 May 2013 diff hist +913 N Talk:Mod:zarfa Created page with " '''Introduction''' Good introduction. '''Cope rearrangement''' Some conformers optimised - although not all of them. Good to discuss their relative energy. Good interpreta..." current
  • 13:4113:41, 1 May 2013 diff hist +909 N Talk:Mod:gaussian y u no converge??! Created page with "'''Introduction''' Absent. '''Cope rearrangement''' Some conformers optimised - not all of them. Any comment about their relative energy? You should use frequency calculati..." current
  • 13:1113:11, 1 May 2013 diff hist +1,212 N Talk:Mod:origskgroup Created page with "'''Introduction''' Good introduction. '''Cope rearrangement''' Some conformers optimised - although not all of them. Any explanation for their relative energy? Good use and..." current
  • 13:0813:08, 1 May 2013 diff hist +1,187 N Talk:Mod:tf910 Created page with " '''Introduction''' Good introduction but be careful, the quantum chemistry program that computes PES is GAUSSIAN. GAUSSVIEW is only the graphical interface software. '''Cope..." current
  • 13:0613:06, 1 May 2013 diff hist +1,100 N Talk:Mod:jamie2 Created page with " '''Introduction''' Short general introduction. '''Cope rearrangement''' All conformers successfully optimised. Any comment about their relative energy? You should use the ..." current
  • 13:0213:02, 1 May 2013 diff hist +611 N Talk:Mod:mod3 christopherkaye Created page with " '''Introduction''' Short introduction. '''Cope rearrangement''' Some conformers successfully optimised. Good to comment their relative energy. Good interpretation of the f..." current
  • 13:0013:00, 1 May 2013 diff hist +1,742 N Talk:Mod:hl1910 1 Created page with "'''Introduction''' Good general introduction but be careful Gaussian is the software that computes the calculations; Gaussview is only the graphical interface. '''Cope rearra..." current
  • 12:5712:57, 1 May 2013 diff hist +702 N Talk:Mod:cwjbear Created page with " '''Introduction''' No general introduction. '''Cope rearrangement''' Good introduction to that exercise. Conformers successfully optimised and good to comment about their ..." current
  • 12:5412:54, 1 May 2013 diff hist +882 N Talk:Mod:jag Created page with "'''Introduction''' Good general introduction. '''Cope rearrangement''' Some conformers optimised. Good comment about their relative energy and good interpretation of the fre..." current
  • 12:5012:50, 1 May 2013 diff hist +357 N Talk:Mod:jl5810mod3 Created page with " '''Introduction''' No general introduction. '''Cope rearrangement''' All conformers successfully optimised. Good comment about their relative energy. Good interpretation o..." current
  • 12:4712:47, 1 May 2013 diff hist +871 N Talk:Mod:df9101 Created page with "'''Introduction''' Good introduction. '''Cope rearrangement''' Some conformers optimised ­ not all of them. Good comment about their relative energy. Be careful, you can no..." current
  • 12:4512:45, 1 May 2013 diff hist +466 N Talk:Mod:Quantopia Created page with " '''Introduction''' No general introduction. '''Cope rearrangement''' Some conformers optimised - not all of them. No other calculation reported for that exercise... '''Di..." current
  • 12:4412:44, 1 May 2013 diff hist +775 N Talk:Mod:rebeccalee3 Created page with " '''Introduction''' No general introduction. '''Cope rearrangement''' Good introduction to that exercise. All conformers successfully optimised. Good comment about their re..." current
  • 09:5709:57, 1 May 2013 diff hist +1,126 N Talk:Mod:mh2710tata2 Created page with "'''Introduction''' Short general introduction. '''Cope rearrangement''' Some conformers optimised - not all of them. Good discussion about their relative energy. be careful..." current
  • 09:5409:54, 1 May 2013 diff hist +1,407 N Talk:Mod:captainmurphy Created page with "'''Introduction''' No general introduction. '''Cope rearrangement''' Some conformers optimised - not all of them. Any comment about their relative energy? How did you check..." current
  • 09:5109:51, 1 May 2013 diff hist +886 N Talk:Mod:mjf2310 Created page with "'''Introduction''' No general introduction. '''Cope rearrangement''' Some conformers optimised - not all of them. Any comment about their relative energy? Good interpretati..." current
  • 09:4809:48, 1 May 2013 diff hist +823 N Talk:Mod:ka1510 Created page with " '''Introduction''' Good general introduction. '''Cope rearrangement''' Conformers successfully optimised. Good comment about their relative energy. Good interpretation of ..." current
  • 09:4409:44, 1 May 2013 diff hist +1,380 N Talk:Mod:NF710M3 Created page with " '''Introduction''' No general introduction. '''Cope rearrangement''' Some conformers optimised -­ not all of them. Any comment about their relative energy? How did you ch..." current

1 March 2013

  • 19:0219:02, 1 March 2013 diff hist +1,113 N Talk:MOD:lonelyTylenol Created page with "'''Introduction''' Good introduction to the Cope rearrangement exercise. '''Cope rearrangement''' All conformers successfully optimised. Good discussion about their relative e..." current
  • 18:5718:57, 1 March 2013 diff hist +1,423 N Talk:Mod:479231 Created page with " '''Introduction''' Good introduction. '''Cope rearrangement''' Some conformers successfully optimised ­although not all of them. Good comment about their relative energy...." current
  • 18:5418:54, 1 March 2013 diff hist +1,526 N Talk:Mod:LBinfieldModule3 Created page with "'''Introduction''' No general introduction. '''Cope rearrangement''' All conformers successfully optimised. Good comment about their relative energy. “''I confirmed that al..." current
  • 18:5018:50, 1 March 2013 diff hist +987 N Talk:Mod:cma209 Created page with " '''Introduction''' Absent. '''Cope rearrangement''' Few conformers successfully optimised ­ not all of them. Any physical explanation for their relative energy? Good int..." current
  • 18:4718:47, 1 March 2013 diff hist −3 Talk:Mod:FRC1510 No edit summary current
  • 18:4718:47, 1 March 2013 diff hist +1,310 N Talk:Mod:FRC1510 Created page with " '''Introduction''' Absent. '''Cope rearrangement''' Few conformers successfully optimised ­ not all of them. Any physical explanation for their relative energy? You shou..."
  • 18:4518:45, 1 March 2013 diff hist +1,348 N Talk:Mod:lkb110mod3 Created page with " '''Introduction''' Short introduction. '''Cope rearrangement''' Successful optimisations of the different conformers at the low level. Good idea to reoptimise the 3 lowest..." current
  • 18:3918:39, 1 March 2013 diff hist +1,418 N Talk:Mod:jd1910 Created page with "'''Introduction''' Very good. '''Cope rearrangement''' Good introduction. Successful optimisations of the different conformers. “''The energy is seen to be higher with th..." current
  • 18:3418:34, 1 March 2013 diff hist +1,606 N Talk:Mod:angela910118 Created page with " '''Introduction''' Good short introduction. The sorfware used to run the calculation is Gaussian and not Gaussview which is the graphical interface of Gaussian. '''Cope rea..." current
  • 18:2818:28, 1 March 2013 diff hist +1,857 N Talk:Mod:Janie192 Created page with "'''Introduction''' Good introduction to the Cope rearrangement exercise. '''Cope rearrangement''' Some conformers successfully optimised ­ not all of them. Is it good to discu..." current
  • 18:2218:22, 1 March 2013 diff hist +793 N Talk:Mod:db810physical Created page with "'''Introduction''' Good general introduction ­ although I don’t see why you introduced pseudo­potentials here (because you did not use them in these exercises - from Module..." current
  • 18:1618:16, 1 March 2013 diff hist +125 Talk:Mod:theoreticalreality No edit summary current
  • 18:1418:14, 1 March 2013 diff hist +1,757 N Talk:Mod:theoreticalreality Created page with "'''Introduction''' No general introduction. '''Cope rearrangement''' Successful optimisations of some conformers - although not all of them. Any physical explanation for th..."
  • 18:0418:04, 1 March 2013 diff hist +2,104 N Talk:Mod:yudanchenmod3 Created page with "'''Introduction''' Absent. '''Cope rearrangement''' Few conformers successfully optimised - not all of them. Good discussion about their relative energy. “''All vibration..." current

31 January 2013

23 January 2013

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