Dummy talk on Exchange Potentials and Dispersion Forces

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• Dr Timothy K Dickens. Department of Chemistry, University of Cambridge.
• Saturday 10 October 2009, 11:00-12:00
• Department of Chemistry, Lensfield Road, University of Cambridge, CB2 1EW.

If you have a question about this talk, please contact Dr Timothy Dickens.

To view the speakers personal website please go to: http://www.ch.cam.ac.uk/staff/tkd.html

To book slot to meet the speaker please go to: http://www.doodle.com/hcaqxpu7zu63nu59

This talk shows how atom-atom non-bonded interactions can be calculated from first principles in terms of exchange (repulsion) and dispersion (induced dipole – induced dipole interactions). A simple semi empirical equation is then applied to the overall energy profile. The accuracy of the potential is then demonstrated by calculating the sublimation energy of hydrocarbon molecular crystals and comparing these with observation. Excellent coloration is then observed. Further improvements to the potential are proposed. The potential is then used with great sucess to predict the barriers to rotation about a single bond for a range of hydrocarbons.

This talk is part of the tkd25's list series.

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• Department of Chemistry, Lensfield Road, University of Cambridge, CB2 1EW

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