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Proceedings
2009 Annual Meeting
Engineering Sciences and Fundamentals
Development of Intermolecular Potential Models
2009 Annual Meeting
Session: Development of Intermolecular Potential Models
Chair
Jeffrey Potoff
, Wayne State University
Co-Chair
Ganesh Kamath
, Oak Ridge National Lab
Presentations
12:30 PM
(692a) The Importance of Polarizability in the Modeling of Solubility: Quantifying the Effect of Charged Co-Solutes On the Solubility of Small Non-Polar Solutes
Hugh Docherty, Peter T. Cummings, Peter J. Dyer
12:50 PM
(692b) Polarizable Water Model for Simulations of Proton Transport
Abhishek Asthana, Dean R. Wheeler
01:10 PM
(692c) Implementing Sequence-Dependent Mechanical Properties in a DNA Mesoscale Model
Vanessa Ortiz, Juan J. De Pablo, Edward J. Sambriski
01:30 PM
(692d) Intramolecular Structure of Carbon Dioxide in the Gas, Supercritical, and Solid Phases
Kelly E. Anderson
01:50 PM
(692e) Improving the Lipid Force Field of CHARMM: A Quantum Mechanical and Experimental Approach
Jeffery Klauda, Richard Venable, Alexander D. MacKerell, Richard W. Pastor
02:10 PM
(692f) Force Field for Dibenzotiophene and Its Alkyl Derivates
Pedro Navarro-Santos, Ramon Lopez-Sandoval, Clare McCabe, Jose L. Rivera
02:30 PM
(692g) Problems of Molecular Theories of Fluid Mixtures: Intermolecular Potential Models and Combining Rules
