User contributions for Mjhughes

20:0420:04, 3 December 2010 diff hist +1 Talk:Mod:babes No edit summary current
20:0420:04, 3 December 2010 diff hist +3,942 N Talk:Mod:babes New page: Q1. Your calculated energies are all correct and you are right to say the reaction is under kinetic control; the reason for this is that the transition state leading to the endo product is...
20:0320:03, 3 December 2010 diff hist +3,675 N Talk:Mod1:pkm New page: Q1. The values you have calculated all look good but it is not necessary to report so many decimal places for your answers; you may have in fact noted that the calculations can vary from t... current
20:0120:01, 3 December 2010 diff hist +3,838 N Talk:Mod:Loftus New page: Q1. Your energy values are all correct. The reason the endo product is formed is a kinetic effect, more specifically, it is a secondary orbital effect: in the endo TS orbitals not involved... current
19:5619:56, 3 December 2010 diff hist +20 Talk:Mod:kc8 No edit summary current
19:5619:56, 3 December 2010 diff hist +4,709 N Talk:Mod:kc8 New page: Nice introduction: I imagine the fact that you took a bit of time to become familiar with the types of calculation helped you a lot. Q1: The energy values are spot on for the dimers and h...

17:1617:16, 26 October 2010 diff hist +3,957 N Talk:Mod:mod1ii108 New page: Good clear introduction. Q1. All of your energy values are correct and the explanation for kinetic control in the reaction is very good. For the monohydrogenated products, the differences ... current
17:1517:15, 26 October 2010 diff hist +3,498 N Talk:Mod:bhheller New page: Q1. Your calculated energy values are all correct and the explanation for the origin of kinetic control in the reaction is good. For the monohydrogenated products, you correctly state that... current
17:1417:14, 26 October 2010 diff hist +3,845 N Talk:Mod1:shl108 New page: Q1. The values you report for the energies of the dimerisation products and the monohydrogenated endo-isomers are all good and the dimerisation is under kinetic control as you said. Second... current
17:1317:13, 26 October 2010 diff hist +4,081 N Talk:Mod:jcl08M1 New page: Q1. Your energy values are good for the dimerisation isomers and the monohydrogenated endo-dimers and you correctly say that the reaction is under kinetic control. You should be careful in... current
17:1217:12, 26 October 2010 diff hist +6,094 N Talk:Mod:holbein16 New page: Q1. Your calculated energies for the dimers and hydrogenated compounds are all correct. Your discussion of thermodynamic/kinetic control is a little confused. I think you are saying that t... current
17:1117:11, 26 October 2010 diff hist +5,060 N Talk:Wilee5534 New page: Q1. Your calculated energies for dimers and hydrogenated dimers are correct. The dimerization is under kinetic control, which you didn’t actually say, but I can surmise you came to this ... current
17:1017:10, 26 October 2010 diff hist +17 Talk:Mod1:david90 No edit summary current
17:0917:09, 26 October 2010 diff hist +6,011 N Talk:Mod1:david90 New page: Q1: The energy values you have found for the two isomers of the dimer and the hydrogenated endo products are spot on and the reaction is indeed under kinetic control. As you have identifie...

14:5514:55, 11 December 2009 diff hist +3,872 N Talk:Mod.MAP107 New page: Q1: The energy values are all good, and the dimerisation is correctly defined as being under kinetic control – this is due to a secondary orbital interaction that stabilises the transiti... current
14:5414:54, 11 December 2009 diff hist +3,619 N Talk:Jn307Module1:h1iamachemist New page: Q1: Your energy values are all good, and the dimerisation is correctly assigned as being under kinetic control. The main difference between the products of the hydrogenation is the relativ... current
14:5414:54, 11 December 2009 diff hist +2,717 N Talk:Module1:organicwm207 New page: Q1: The energy values are all spot on. The dimerisation is indeed under kinetic control, the reason the relevant transition state is relatively lower in energy is due to a beneficial secon... current
14:5314:53, 11 December 2009 diff hist +3,347 N Talk:Organic:HughLaurie New page: Q1: The energy values are correct and the dimerisation reaction is indeed under kinetic control; the reason for this kinetic control is stabilisation of the transition state leading to the... current
14:5214:52, 11 December 2009 diff hist +4,623 Talk:Mod:leoboon No edit summary current
14:4814:48, 11 December 2009 diff hist +3,424 N Talk:Org:sb807 New page: Q1: Your calculated energies are good, although the endo dimer should be a little higher in energy. The dimerisation is correctly identified as being under kinetic control, backing it up w... current

01:0501:05, 2 November 2009 diff hist +3,279 N Talk:Organic:luke4912 New page: Q1. All of the energies you have calculated are good, but it is not necessary to quote the results to so many decimal places. Your reasoning about the kinetically controlled dimerisation i... current

16:4816:48, 30 October 2009 diff hist +2,891 N Talk:Organic:whogotthefunk New page: Q1. The energy values are all correct as is the suggestion that the dimerisation occurs under kinetic control. Bending strain refers to the deviation from ideal bond angles and is clearly ... current
16:4616:46, 30 October 2009 diff hist +2,638 N Talk:Organic:Victoria2 New page: Q1 Your energies are all correct. You correctly identified that the dimerisation reaction must be under kinetic control; this is due to a secondary orbital effect stabilising the transitio... current
16:4516:45, 30 October 2009 diff hist +2,656 N Talk:Mod:parkdara New page: Q1. The energies you calculated are a little lower than expected, but all of the compounds are correct in terms of relative energy, so I assume you used higher level computation. Since the... current
16:4016:40, 30 October 2009 diff hist +2,310 N Talk:Organic:whoisthedaddy New page: Q1. Your results are all good. As you pointed out, the exo dimerisation product is thermodynamically more stable; since the endo product is the one actually formed, that indicates the reac... current
16:3816:38, 30 October 2009 diff hist +2,708 N Talk:Mod:yahoot New page: Q1. Your calculation results all appear to be good. It is true to say that since the dimerisation gives the thermodynamically least stable product, the reaction must be under kinetic contr... current

17:4117:41, 16 February 2009 diff hist +1,554 N Talk:Mod:jfg06 New page: 1.1 Good results and discussion about the thermodynamic vs. kinetic control; the contributions to strain are well analysed. 1.2 The calculations are good and reasoning for the stereochemi... current
17:3817:38, 16 February 2009 diff hist +2,001 N Talk:Mod:sb1106 New page: 2 Energies reported are spot on. Cpd 1 is actually the exo dimer and 2 is the endo dimer, but assuming you meant it to be the other way around, the arguments are correct. 3 Energies are g... current
17:3417:34, 16 February 2009 diff hist +1,665 N Talk:Mod:holyzarquonsingingfish New page: 1.1 Energies are spot on; the discussion of the thermodynamic vs. kinetic control and contributions to the strain in the dihydro products is accurate, but could have done with more detail.... current
17:3117:31, 16 February 2009 diff hist +1,781 Nm Talk:Mod:ivyzhang New page: 1.1 Energies are very good. Thermodynamic vs. kinetic control is addressed well. The bending energy is indeed the major destabilisation in the dihydro derivatives and it is a measure of d... current
17:3117:31, 16 February 2009 diff hist −1,807 Talk:Mod:organic →Marker's Comments
17:3017:30, 16 February 2009 diff hist +1,807 Talk:Mod:organic No edit summary
17:2517:25, 16 February 2009 diff hist +1,882 N Talk:Mod:awc106 module1 New page: 1.2 Energy values are excellent. The thermodynamic vs. kinetic argument is picked up on and the importance of bending distortion in the dihydro cpds is well covered. Diagrams and data is c... current
17:2317:23, 16 February 2009 diff hist +1,326 N Talk:Mod:taa061 New page: 1.2 Calculated energies are good as are the discussions of thermodynamic vs. kinetic control and the contributions to the energies of the hydrogenation products. 1.4 Calculations are agai... current
17:2117:21, 16 February 2009 diff hist +1,812 N Talk:Mod:Andy1234 New page: 1.1.1 The energies are good and discussion is spot on. The contribution to energies of the hydrogenation products is particularly well presented. 1.1.2 Structures and nergies are good and... current
17:1817:18, 16 February 2009 diff hist +2,204 N Talk:Mod:frisbee0702 New page: 1.1 Energies are good, as is discussion about thermodynamic vs. kinetic control; the difference in the energies of the hydrogenated dimers is due to differences in bending contributions ar... current
17:1617:16, 16 February 2009 diff hist +1,767 N Talk:Mod:brapbrap New page: 1.1 Good energies for all four compounds. Thermodynamic vs kinetic control is well discussed. Good analysis of the contributions to the energies of the different hydrogenated products. 1... current
17:1217:12, 16 February 2009 diff hist +3,144 Talk:Mod:jhb79574592 No edit summary current
17:0617:06, 16 February 2009 diff hist +1,637 N Talk:Mod:xienzato123 New page: 2: The energies are excellent and thermodynamic vs. kinetic control is covered. Bending energy is correctly identified as the major difference between the dihydro cpds and is explained wel... current

15:1615:16, 23 January 2009 diff hist +671 Mod:Q&A →FAQ

10:0410:04, 8 October 2008 diff hist 0 Mod:organic →Stereochemistry of Nucleophilic additions to a pyridinium ring (NAD<sup>+</sup> analogue).

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