Background:
Summary of Methods Used
Simple Example:
Theory
The Vibrations
Research Topics:
Fatty Acid Methyl Esters (FAMEs)
The Spectra and the Vibrations
Associate Lecturer Department of Life, Health and Chemical Sciences
The Open University
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Hi. I originally produced this web site to explain the research I did while a PhD student and then as a Research Fellow at The Queen's University of Belfast. I now work as an Associate Lecturer for The Open University and you can see more about that work at my other website Roma Oakes
My research involved using Computational Chemistry techniques (in particular, Density Functional Theory) to help to explain and interpret the Raman spectra and vibrational modes of various molecular systems.
It appears that the web hosting here has stopping alllowing the pdb file to work, sorry. I don't think that I can do anything aobut this but I hope that you will still be able to follow the discussions in the next few pages.
I'm a chemist (with a particular interest in spectroscopy), so
I am interested in molecules and their shapes, properties and vibrational modes. After you have installed Chime you will be able to see a small molecule rotating in the space, right. This is the Carbon Dioxide molecule, right click in the black window to manipulate the display
Alternatively, you can access a good, straightforward tutorial here.
In order to see the molecules in these pages, you need the MDL Chime plug-in. Click the logo to download. Filename: MDLChimeSP6.exe(2.9MB). The plug-in is free for educational purposes.
Chime plug-in required!
