User:Wcoleman
Flick Coleman
Professor of Chemistry, Wellesley College, Wellesley MA 02481
I use Jmol almost daily in my classes in Introductory, Inorganic, Physical and Environmental Chemistry and have also made a number of sites for my colleagues who teach organic labs. I also edit the Featured Molecules column in the Journal of Chemical Education. Each month we feature molecules from one or two papers in that issue and they are added to the JCE Digital Library Collection, which is rendered in Jmol.
Here are links to some of my pages:
[1] - homonuclear diatomics from ab initio calculations
[2] - various views of water electrostatic potential (mapped and planes)
[3] - water orbitals, vibrations and more
[http://www.wellesley.edu/Chemistry/Flick/formaldehydemos.html - just what the name says
[4] - molecular orbitals of benzene arising from a PM3 calculation
[5] - molecular orbitals of benzene arising from an ab initio calculation
[http://www.wellesley.edu/Chemistry/Flick/chem341/vsepr.html - examples of the various VSEPR structures
[6] - speakers on - methane vibrations and the Beach Boys
[7] - introduction to molecules with various functional groups - for week two of Chem 211 lab
[8] - an asymmetric bromonium ion
[9] - carbon monoxide - the ESP is colored using the whole spectrum, although the charge separation is quite small - I am working on a collection of heteronuclear diatomics that will couple color to the magnitude of the charge separation - in such a case, HF uses most of the spectrum but CO is essentially the same color throughout
[10] - useful when talking about VSEPR as it shows subtle changes in geometry on oxidation or reduction
[11] -neutral SFx species - also for VSEPR - note SF3 shows the effect of an odd electron count
[12] - molecules for Chem 211 Lab 1
[13] - all eight menthol forms
[14] - metalloproteins
[15] - Jmol page with orbitals through 4f
[16] - vibrations of common functional groups
The Featured Molecules Collection is at [17]. Most structures are derived from high-level HF or DFT calculations done in my laboratory.
--Flick 16:51, 8 March 2009 (CET)
