2007 Annual Meeting

Session: Development of Intermolecular Potential Models

Co-Chair

Jeffrey J. Potoff, Wayne State University

Presentations

03:30 PM

(469a) Bebop, a New Reactive Potential Using Bond-Energy/ Bond-Order Relationships
Sonia Tulyani, George A. Petersson

03:45 PM

(469b) Classical Simulation Of Dithiophene With Extension Of The Parameter Set To Alkyl-Substituted Dithiophene
Michael L. Hobbs

04:00 PM

(469c) Charmm All-Atom Additive Force Field For Carbohydrates
Ganesh Kamath, Olgun Guvench, Shannon Greene, Alexander D. MacKerell

04:15 PM

(469d) Extending The Transferable Potentials For Phase Equilibria (Trappe) Force Field To Aromatic Heterocycles
Neeraj Rai

04:30 PM

(469e) Development of Force Fields for Molecular Simulations Including Phase and Transport Properties
Lourdes F. Vega, Aurelio Olivet

04:45 PM

(469f) Repulsive Term In The Lennard-Jones Potential And Phase Behavior Of Organic Compounds
Damien Bernard-Brunel, Jeffrey Potoff

05:00 PM

(469g) New Polarizable Fore Field Potential Has Been Developed To Depict The Behavior Of Poly (Ethylene Oxide) (Peo)/water And Poly (Propylene Oxide) (Ppo)/water Aqueous Solutions
Oleg Starovoytov, Oleg Borodin, Grant D. Smith

05:15 PM

(469h) Development Of A Gaussian Charge Polarizable Model For Simple Ions
Peter J. Dyer, Peter T. Cummings

05:30 PM

(469i) Investigation Of Charge-Transfer Atomic Potentials Using Evolutionary Strategies And Molecular Dynamics Simulations
Brian C. Barnes, Lev D. Gelb

05:45 PM

(469j) Developing Intermolecular Potential Models From Molecular Dynamics Simulation Of NMR Chemical Shifts
James Olson