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