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Model #5 - Regiochemistry of 3+2 Cycloaddition
The instructions for this assignment can be found here. To summarize, you were asked to predict the regiochemistry of the following cycloaddition using FMO (note: the left and right-hand products will… more »
Chemistry 324 - Spring 2008
Model #5 - Regiochemistry of 3+2 Cycloaddition
Alan wrote 1 week ago: The instructions for this assignment can be found here. To summarize, you were asked to predict the … more »
Frontier MO lecture
Alan wrote 2 months ago: The emphasis of my treatment of frontier MO theory has been on its application, not its theoretical … more »
Paper #4 - Importing published models into Spartan
Alan wrote 2 months ago: Authors often file additional material with their papers that does not get published in the journal … more »
Model #3 - Rotation Barriers
Alan wrote 2 months ago: A few days ago I showed you how to model an energy profile for internal rotation. As part of that ex … more »
HW #3 - Modeling tips
Alan wrote 2 months ago: When you generate a list of models, e.g., conformers, there are two ways to get information about th … more »
Model #2 - Thermochemistry
Alan wrote 3 months ago: I have posted some background information on energy calculations here (required reading). I have als … more »
Model #1 - Transition States & Isomers
Alan wrote 3 months ago: On Fri (Feb 1) we used transition state models to follow atoms from reactants to products in Diels-A … more »
Useful Site...
walkerma wrote 4 months ago: Free computer tools in Structural Bioinformatics and Chemoinformatics … more »
My First PyMol Image
— 1 comment
D. Borst wrote 6 months ago: So eventually, if you want to do work with proteins, you have to actually look at some. I suppose … more »
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