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SYMPOSIUM
MINISYMPOSIA
December 4-5, 1998
University of Southern Mississippi
Hattiesburg, Mississippi
Recent Applications of the General Interaction Properties Function to the Prediction of Condensed Phase Properties
Jane S. Murray
Over the past few years, we have shown that a variety of condensed phase properties can be represented analytically in terms of a small number of computed statistical quantities related to the electrostatic potentials on molecular surfaces. These quantities include the most positive and negative values of the potential, its positive and negative averages, its average deviation and its positive and negative variances. Among the properties that we have been able to represent are heats of fusion, sublimation and vaporization, boiling points, critical constants, solubilities, partition coefficients, diffusion constants and solvation energies. This presentation shall involve a brief survey of the approach (the General Interaction Properties Function), followed by a discussion of the application to solvation energies.
To obtain more information about the meeting send e-mail to: fscc98@pax.st.usm.edu.
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