User contributions for Pd05

11:3011:30, 11 March 2011 diff hist +1,113 N Talk:Sunkiss pl1208 01 New page: 1.2.1 Cp dimers: That’s quite a lengthy answer, it’s a good one though. 1.2.2 NAD: Good to see you presenting your minimisation graphically. Excellent analysis. 1.2.3 Taxol: A ver...
11:3011:30, 11 March 2011 diff hist +1,547 N Talk:Mod:FolarinDuduyemi New page: 1.2.1 Cp dimers: Jmols? Is this supposed hindrance the sole reason behind the kinetic/thermo selectivity? What are the structural features relating to the energy differences between 3/4?... current
11:2911:29, 11 March 2011 diff hist +714 N Talk:Mod 1: CouchMA New page: 1.2.1 Cp dimers: Energies and structures are fine. Could you give a more quantitative answer for 3/4 hydrog? Note that it is not valid to compare 1/2 or 3/4 or5 as they are not isomers.... current
11:2911:29, 11 March 2011 diff hist +1,173 N Talk:Mod1:jc808 New page: 1.2.1 Cp dimers: Energies and structures are fine. What is the basis of the endo rule? It is not valid to compare 5 to 4/3 because they are not isomers. 1.2.2 NAD: Good to see you’re... current
11:2911:29, 11 March 2011 diff hist +1,814 N Talk:Hoss.Module1 New page: 1.2.1 Cp dimers: The reason lay, not lied. Good discussion but a little meandering, could have been structured better. 1.2.2 NAD: You’re missing a Jmol for 5. A better way to pres... current
11:2811:28, 11 March 2011 diff hist +1,368 N Talk:Mod 1: Tom Campling New page: 1.2.1 Cp dimers: Energies and structures are fine. What is the basis of the endo rule? What are the structural features causing the difference in bending strain between 3 and 4? 1.2.2 ... current
11:2811:28, 11 March 2011 diff hist +980 N Talk:Mod:com7 New page: 1.2.1 Cp dimers: Jmols? Good energies. Exactly what structural features cause the differences in energies? Where did hydroboration come from? 1.2.2 NAD: Looks good. 1.2.3 Taxol:... current
11:2811:28, 11 March 2011 diff hist +1,162 N Talk:Mod:eb108m1 New page: 1.2.1 Cp dimers: Your energies look good, your discussion is also good. 1.2.2 NAD: A better way to present your minimisation to a reader would have been graphically (ie, energy vs. di... current
11:2811:28, 11 March 2011 diff hist +1,567 N Talk:Mod:Sc2108 Module 1 New page: 1.2.1 Cp dimers: Your jmols for molecules 1 and 2 are the same. Some discussion about kinetic/thermodynamic control would have been nice. 1.2.2 NAD: You don’t really need to highlight... current
11:2711:27, 11 March 2011 diff hist +1,331 N Talk:Mod:wyc08 New page: 1.2.1 Cp dimers: You don’t really need to give energies in two units, kcal mol-1 is the standard and would do alone. The endo rule does is not always followed! Good to see you relatin... current
11:2711:27, 11 March 2011 diff hist +2,091 N Talk:Mod1:ch1508 New page: 1.2.1 Cp dimers: You really think the endo conformation is that strange? Would have been nice to have a little more about kinetic/thermo control. Excellent discussion and nice to see a ... current
11:2711:27, 11 March 2011 diff hist +1,307 N Talk:Mod:cb208 New page: 1.2.1 Cp dimers: Jmols? Not the clearest explanation of kinetic vs thermodynamic control, or the endo rule. Your energies are good. 1.2.2 NAD: Nice minimisation. Your answers are goo... current
11:2611:26, 11 March 2011 diff hist +1,619 N Talk:00554846 Org1 New page: 1.2.1 Cp dimers: You’ve got your answer the wrong way around! Nice to see a quantitative analysis of the relative alkene strains. 1.2.2 NAD: The information in tables 3 and could have... current
11:2611:26, 11 March 2011 diff hist +1,434 N Talk:Mod:md308 New page: 1.2.1 Cp dimers: Good results and discussion. 1.2.2 NAD: Nice to see you’re thinking of ways around the lack of support for Mg in MM2. Did you optimise the geometry in terms of the d... current
11:2311:23, 11 March 2011 diff hist +1,276 N Talk:Mod:NightAngel New page: 1.2.1 Cp dimers: Good to see you’re investigating the literature. Would have been nice to see some quantitative data put to the levels of strain in each alkene. 1.2.2 NAD: Excellen... current

14:3014:30, 10 March 2011 diff hist +2,325 N Talk:Mod1:yz908 New page: 1.2.1 Cp dimers: Your energies are good, nice to see the differences clearly stated for the reader. Your explanation of kinetic vs thermodynamic control is a little shaky. Good to see y... current

09:0009:00, 2 February 2011 diff hist +767 N Talk:Mod:cg507 New page: 1.2.1 Cp dimers: jmols? Why is the endo isomer preferred? Why is product 4 preferred? Where is your analysis? 1.2.2 NAD: Sterics are the reason the Grignard reagent attacks on the sa... current
08:5908:59, 2 February 2011 diff hist +1,408 N Talk:Mod:gHoST wriTER New page: 1.2.1 Cp dimers: Where are the jmols? A diagram would have helped in your discussion of thermo and kinetic control. Nice to see you’re taking the limitations of MM into account. Some... current
08:5808:58, 2 February 2011 diff hist +1,571 N Talk:Mod:130290nayr New page: 1.2.1 Cp dimers: Looks fine. 1.2.2 NAD: Symmetry? There is no six membered ring to change the conformation of! What specific interaction causes the Grignard to attack above the ring? ... current

11:0011:00, 1 February 2011 diff hist +785 N Talk:Mod:swheeler1 New page: 1.2.1 Cp dimers: Good to see you’re aware of the limitations of and MM approach. However, you cannot compare the energies of the endo dimer to its hydrogenation product as they are not... current
11:0011:00, 1 February 2011 diff hist +884 N Talk:Mod:pnr08mod1 New page: 1.2.1 Cp dimers: Your jmol structures are all mixed up! What structural aspects of the isomers lead to the differences in energy? 1.2.2 NAD: Is the opposite face of the molecule that... current
11:0011:00, 1 February 2011 diff hist +806 N Talk:Mod:ir208 New page: 1.2.1 Cp dimers: An interesting number of significant figures here. Good to see you’re relating energy to structural terms. Good lit citations. 1.2.2 NAD: Tables and graphs are much... current
10:5910:59, 1 February 2011 diff hist +948 N Talk:Mod1:p.thakrar New page: 1.2.1 Cp dimers: Your energies are correct and your discussion is good. Also good to see you’re aware of the limitations of a molecular mechanics approach to modelling. 1.2.2 NAD: ... current
10:5910:59, 1 February 2011 diff hist +845 N Talk:Mod:wsc108 module1 New page: 1.2.1 Cp dimers: Excellent discussion, your energies are fine. 1.2.2 NAD: Good discussion and a nice contrast of MM2 vs PM6. Also nice to see your optimisation presented graphically. ... current
10:5910:59, 1 February 2011 diff hist +868 N Talk:Mod:nightfox New page: 1.2.1 Cp dimers: Excellent answer, well discussed and referenced. 1.2.2 NAD: Another excellent answer. Good to see your optimisation presented graphically (very few people think to do ... current
10:5910:59, 1 February 2011 diff hist +1,687 N Talk:Mod:1sadia New page: 1.2.1 Cp dimers: Your structures are wrong, this may explain why your energies are slightly off. A more in-depth discussion on the structural differences between 3 and 4 would have been ... current
10:5910:59, 1 February 2011 diff hist +898 N Talk:Mod:12dschubertroad New page: 1.2.1 Cp dimers: Your answer is correct but it is lacking any real discussion. For instance, why are there differences in the energies of 3 and 4? Are there any particular structural di... current
10:5910:59, 1 February 2011 diff hist +1,264 N Talk:Org:pswallow89 New page: 1.2.1 Cp dimers: Nice to see you’ve thought outside of the question (your example of the diels alder with cyclopentene). Bit of a muddled answer for the hydrogenation products. MM mod... current
10:5810:58, 1 February 2011 diff hist +869 N Talk:Mod1:lcs11 New page: 1.2.1 Cp dimers: It is not valid to compare the energies of 3 or 4 to 2 as they are not isomers. Your energies look fine, good discussion. 1.2.2 NAD: Nice to see your optimisation was b... current

13:2813:28, 10 March 2010 diff hist +2,078 N Talk:Mod:victoriasponge8 New page: 1.2.1 Cp Dimers: Are you sure kinetic control gives only one product, while thermodynamic gives a mixture? I assume you mean ‘alleviating’ rather than ‘elevating’? Are there no o... current
13:2713:27, 10 March 2010 diff hist +1,952 N Talk:Mod:cc1007 New page: 1.2.1 Cp Dimers: Would have been nice to see the Jmol structures. Good that you’re relating energies to structural features. Do the higher bending energies of 3 really outweigh those... current
13:2713:27, 10 March 2010 diff hist +1,121 N Talk:Mod:osef-module1 New page: 1.2.1 Cp Dimers: Would have been nice to see some Jmol structures. Energies are correct even though the structures you have drawn are wrong, slightly odd that. Under kinetic control wou... current

14:1614:16, 4 February 2010 diff hist −34 Talk:Denzel No edit summary current
14:1214:12, 4 February 2010 diff hist +82 Talk:Module1:doushinidecuoqingyiaishangwo No edit summary current
14:0914:09, 4 February 2010 diff hist +283 Talk:Mod:MeWantA No edit summary current
14:0214:02, 4 February 2010 diff hist +89 Talk:Mod:LOTR1 No edit summary current

11:5011:50, 3 February 2010 diff hist +1,348 N Talk:Module1:doushinidecuoqingyiaishangwo New page: 1.2.1 Cp Dimers: Well layed out and clearly stated answer, good work! Nice to see Jmol structures. The individual energy contributions for 3/4 are actually different enough for a compar...
11:4911:49, 3 February 2010 diff hist +2 Talk:Mod:MeWantA No edit summary
11:4811:48, 3 February 2010 diff hist +1,268 Talk:Mod:MeWantA No edit summary
11:4711:47, 3 February 2010 diff hist +1,269 N Talk:Mod:LOTR1 New page: 1.2.1 Cp Dimers: Would have been nice to see Jmol structures. Your energies are correct but you have assigned them to the wrong dimers (ie exo is 31.9 and endo is 34)! The reaction is i...
11:1511:15, 3 February 2010 diff hist +79 Talk:Denzel No edit summary
09:1409:14, 3 February 2010 diff hist +433 Talk:Denzel No edit summary
09:0909:09, 3 February 2010 diff hist +216 Talk:Mod:gzus No edit summary current

16:3516:35, 2 February 2010 diff hist +820 Talk:Denzel No edit summary
16:3216:32, 2 February 2010 diff hist +78 Talk:Mod:gzus No edit summary
11:1611:16, 2 February 2010 diff hist +73 N Talk:Denzel New page: 1.2.1 Cp Dimers: 1.2.2 NAD: 1.2.3 Taxol: 1.3.1 Carbene: Mini-Project:
11:1411:14, 2 February 2010 diff hist −1 Talk:Mod:gzus No edit summary
11:1311:13, 2 February 2010 diff hist −1 Talk:Mod:gzus No edit summary
11:1211:12, 2 February 2010 diff hist +850 Talk:Mod:gzus No edit summary
09:2809:28, 2 February 2010 diff hist +73 N Talk:Mod:gzus New page: 1.2.1 Cp Dimers: 1.2.2 NAD: 1.2.3 Taxol: 1.3.1 Carbene: Mini-Project:

11 March 2011

10 March 2011

2 February 2011

1 February 2011

10 March 2010

4 February 2010

3 February 2010

2 February 2010