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Proceedings
2005 Annual Meeting
Computational Molecular Science and Engineering Forum
Developments in Intermolecular Potential Models
2005 Annual Meeting
Session: Developments in Intermolecular Potential Models
Co-Chair
Jeffrey J. Potoff
, Wayne State University
Presentations
08:00 AM
(160a) Transferable Potentials Optimized for Mixed Site-Site Interactions
Amanda D. Sans, Neil H. Gray
08:18 AM
(160b) Solvation Study Using Gaussian Charges Particles and GCPM Water Model
Peter J. Dyer, Peter T. Cummings
08:36 AM
(160c) Molecular Modeling of Chemical Warfare Agents
Jeffrey J. Potoff, Maria Coscione, Ganesh Kamath, Lech Czerwinski
08:54 AM
(160d) Development of Polarizable Force Fields for Application to Molecular Dynamics Simulations of Biological Molecules
Sandeep A. Patel, Charles L. Brooks, III
09:12 AM
(160e) Development and Application of the Trappe Force Field
Collin D. Wick, John M. Stubbs, Ling Zhang, Neeraj Rai
09:30 AM
(160f) Force Field Parameter Development for Pyridine, Pyrazine, Pyrimidine, Pyridazine and S-Triazene
David Rigby, Rajiv J. Berry
09:48 AM
(160g) Development of Classical Force Field for the Chemical Bonding between Benzenedithiolate and Gold
Yongsheng Leng, Predrag S. Krstic, Jack C. Wells, Peter T. Cummings, David J. Dean
10:06 AM
(160h) Close Contact Penalty Functions in Direct Space Methods and Energetic Considerations in Structure Refinement
Cikui Liang
