Dyer, Peter
Ph.D. in Chemical Engineering, December 2008 Research Information
Ph.D. in Chemical Engineering, December 2008
---------------------------------------- Ph.D. Dissertation
Molecular Modeling of Aqueous Solutions: The Effects of Molecular Polarization on Classical Forcefield Developement
Ph.D. Research Advisor
Peter Cummings, Chemical Engineering
Committee Members
Kenneth Debelak, Chemical Engineering
Douglas LeVan, Chemical Engineering
Clare McCabe, Chemical Engineering
Jens Meiler, Structural and Chemical Biology
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Selected Publications
The importance of polarizability in the modeling of solubility: Quantifying the effect of solute polarizability on the solubility of small nonpolar solutes in popular models of water. Dyer, PJ; Docherty, H; Cummings, PT, JOURNAL OF CHEMICAL PHYSICS, 129, 024508 , (2008) Calibration of chemical bonding between benzenedithiolate and gold: the effects of geometry and size of gold clusters. Leng, YS; Dyer, PJ; Krstic, PS; Harrison, RJ; Cummings, PT, MOLECULAR PHYSICS, 105, 293-300 , (2007) Hydrogen bonding and induced dipole moments in water: Predictions from the Gaussian charge polarizable model and Car-Parrinello molecular dynamics. Dyer, PJ; Cummings, PT, JOURNAL OF CHEMICAL PHYSICS, 125, 144519 , (2006) |
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