User contributions for Bnguyen

1 December 2011

• 21:3521:35, 1 December 2011 diff hist +4,075 N Talk:Mod:AM8709mod1 Created page with "As your submission is so late, the marking is very complicated so I actually include the mark of each round and your overall mark to explain why you get the mark at the end. We d..." current
• 21:2821:28, 1 December 2011 diff hist +2,206 N Talk:Mod:RUNAOns1 Created page with "Overall, you did show good insights in some places, but the submission was rushed. I'm aware that you lost 1 day due to an interview, but you'll need to improve your time managem..." current
• 21:2421:24, 1 December 2011 diff hist +2,418 N Talk:Mod:ss7009 Created page with "====Q1==== *There's no " mimicking" here, Cp acts as both diene and dienophile. *Your Jmol for 1 and 2 are for 3 and 4. *Correct energies for 1 and 2 and analysis of torsion ener..." current
• 21:2121:21, 1 December 2011 diff hist +1,597 N Talk:Mod:jm3109 Created page with "Overall, your analysis is rather lacking, and causes most of the lost marks. ====Q1==== *"The dimer returns to a polymer upon heating." I don't think so. *Mixed up Jmols of 1 and..." current
• 21:1921:19, 1 December 2011 diff hist +2,552 N Talk:Mod:SJN2511 Created page with "====Q1==== *Correct energies for all compounds. *" 1.12 kcal.mol-1" *The second half could use some visual aid. I know what you're talking about, but a new reader would have stru..." current
• 21:1621:16, 1 December 2011 diff hist +4,546 N Talk:Mod:mtr09mod1 Created page with "Overall, I like you way of presenting the data, especially the Jmols, which prevents cluttered tables and give the data some clarity. ====Q1==== *Correct energies, correct analys..." current
• 21:1021:10, 1 December 2011 diff hist +1,991 N Talk:Mod:NishMeisterG Created page with "====Q1==== *“one is more kinetically stable” wrong term! *Correct energies for 1, 2, 3 and 4. But your energies cannot be accurate to the 4th digit after the dot. *Correct an..." current
• 21:0721:07, 1 December 2011 diff hist +2,659 N Talk:Mod:PAP0801 Created page with "====Q1==== *Which method did you use for your calculation? This is really important. *“the kinetically more stable product” isn’t correct. *“The derivative does not have ..." current
• 21:0421:04, 1 December 2011 diff hist +2,036 N Talk:Mod:CN2209 Created page with "====Q1==== *Which 1,4-repulsive interaction are you talking about? If it's the torsion component of the MM2 energy, it has little to do with Figure 3. Torsion is all about dihedr..." current
• 20:5220:52, 1 December 2011 diff hist +2,472 N Talk:Mod:lp0190 module1 Created page with "====Q1==== *Correct energies for 1, 2, 3 an 4. *You seem to have some understanding of the thermodynamic and kinetic products. But the explanation could have been clearer. *When ..." current
• 20:4720:47, 1 December 2011 diff hist +3,669 N Talk:Mod1:zy909 Created page with "====Q1==== *Well researched and written introduction. *"ring A (blue - see structure)" I could find this, even including the Jmol structures. *It's not MM2 fault for not being ab..."

19 November 2011

• 17:2017:20, 19 November 2011 diff hist +2,674 N Talk:Mod:SergioGeorgini Created page with "Please make sure you put in references before submission, particularly for Figure 4. ====Q1==== *Torsion energy explanation: dihedral angles. *Your analysis on the source of the ..."
• 17:1617:16, 19 November 2011 diff hist +3 Talk:Mod:SAMROWE001 →Q3
• 17:1617:16, 19 November 2011 diff hist +2,782 N Talk:Mod:SAMROWE001 Created page with "====Q1==== *Correct calculation for the dimers, but we're looking for some analysis as well. Where do you think the difference in energy come from? Which part of the molecules is..."

18 November 2011

• 13:4913:49, 18 November 2011 diff hist 0 Mod:organic →: Structure based Mini project using DFT-based Molecular orbital methods

14 November 2011

• 16:2116:21, 14 November 2011 diff hist +47 Mod:lectures →Lectures
• 16:1916:19, 14 November 2011 diff hist +67 Rep:Mod:context →Why do computational chemistry?
• 16:1716:17, 14 November 2011 diff hist +438 N Mod:Why computational chemistry Created page with "See also: Modelling in context, Molecular mechanics and force fields, Basis sets and Methods, [[mod:geom_opt|Geometry optimi..." current
• 16:1616:16, 14 November 2011 diff hist +437 N Rep:Mod:Module 1 intro Created page with "See also: Modelling in context, Molecular mechanics and force fields, Basis sets and Methods, [[mod:geom_opt|Geometry optimi..."
• 16:1516:15, 14 November 2011 diff hist 0 File:BN Why computational chemistry.pdf uploaded a new version of "File:BN Why computational chemistry.pdf" current
• 16:1516:15, 14 November 2011 diff hist 0 File:BN Module 1 Introductory talk.pdf uploaded a new version of "File:BN Module 1 Introductory talk.pdf" current
• 16:1516:15, 14 November 2011 diff hist 0 N File:BN Why computational chemistry.pdf No edit summary
• 16:1516:15, 14 November 2011 diff hist 0 N File:BN Module 1 Introductory talk.pdf No edit summary
• 14:5714:57, 14 November 2011 diff hist −10 Rep:Mod:dont panic →Molecular Mechanics

4 November 2011

• 14:3414:34, 4 November 2011 diff hist +503 Rep:Mod:dont panic →Thermodynamics vs kinetics

1 November 2011

• 09:4409:44, 1 November 2011 diff hist +33 Mod:organic No edit summary
• 08:4208:42, 1 November 2011 diff hist +8,608 N Rep:Mod:dont panic Created page with "center|800px center|200px So you've done your calculations as instructed, and got your optimised structures with a whol..."
• 08:2608:26, 1 November 2011 diff hist +700 Rep:Mod:bnguyen →Thermodynamics vs kinetics

28 October 2011

• 18:4918:49, 28 October 2011 diff hist 0 Rep:Mod:bnguyen →Other things
• 18:4818:48, 28 October 2011 diff hist +12 Rep:Mod:bnguyen →Ab initio calculations
• 18:4618:46, 28 October 2011 diff hist +2 Rep:Mod:bnguyen →Analysis
• 10:1610:16, 28 October 2011 diff hist +126 Rep:Mod:bnguyen →Molecular Mechanics
• 10:0710:07, 28 October 2011 diff hist +34 Rep:Mod:bnguyen →Ab initio calculations
• 10:0410:04, 28 October 2011 diff hist +135 Rep:Mod:bnguyen →Ab initio calculations
• 09:0009:00, 28 October 2011 diff hist +983 Rep:Mod:bnguyen →Ab initio calculations
• 08:5008:50, 28 October 2011 diff hist +48 Rep:Mod:bnguyen →Semi-empirical methods
• 08:4908:49, 28 October 2011 diff hist +619 Rep:Mod:bnguyen →Semi-empirical methods
• 08:4008:40, 28 October 2011 diff hist +704 Rep:Mod:bnguyen →Molecular Mechanics
• 08:0008:00, 28 October 2011 diff hist +145 Rep:Mod:bnguyen →Other things
• 07:5607:56, 28 October 2011 diff hist +12 Rep:Mod:bnguyen →Other things
• 07:5607:56, 28 October 2011 diff hist +390 Rep:Mod:bnguyen →Thermodynamics vs kinetics
• 07:5207:52, 28 October 2011 diff hist +2 Rep:Mod:bnguyen No edit summary
• 07:4807:48, 28 October 2011 diff hist +318 Rep:Mod:bnguyen →Bond angles and dihedral angels
• 07:4207:42, 28 October 2011 diff hist −29 Rep:Mod:bnguyen →Analysis
• 07:4107:41, 28 October 2011 diff hist +4 Rep:Mod:bnguyen →Starting point
• 07:4107:41, 28 October 2011 diff hist +345 Rep:Mod:bnguyen →Molecular orbitals
• 07:3507:35, 28 October 2011 diff hist +355 Rep:Mod:bnguyen →Energies
• 07:2907:29, 28 October 2011 diff hist +4 Rep:Mod:bnguyen →Bond strength, bond lengths and vibrational frequencies
• 07:2907:29, 28 October 2011 diff hist +343 Rep:Mod:bnguyen →Bond strength, bond lengths and vibrational frequencies
• 07:2607:26, 28 October 2011 diff hist −6 Rep:Mod:bnguyen →Energies