Session: #383 - Computational Modeling of Surfaces and Surface Phenomena (01G03)


Wednesday, November 15, 2006: 12:30 PM-3:00 PM
Union Square 1 & 2 (Hilton San Francisco)
#383 - Computational Modeling of Surfaces and Surface Phenomena (01G03)
This session will focus on the use of computational chemistry to model surface phenomena.
Chair:	Gyeong S. Hwang
CoChair:	Aravind R. Asthagiri
12:30 PM	383a	Chiral Adsorption on Cu Surfaces David S. Sholl, Rees B. Rankin, Bhawna Bhatia, Joanna James
12:55 PM	383b	Development of the Oxygen Reduction Reaction Mechanism on Pt(111) Using Dft Matthew P. Hyman, Will Medlin
1:15 PM	383c	The Growth of Thin Metal Films on Polar Metal Oxides Surfaces: Insights from First-Principles Calculations Aravind R. Asthagiri
1:35 PM	383d	Strong Repulsive Forces between Protein and Phosphocholine Self-Assembled Monolayers - a Molecular Simulation Study Yi He, Jason C. Hower, Jie Zheng, Shengfu Chen, Shaoyi Jiang
1:55 PM	383e	Effects of the Combined Action of Electric Fields and Mechanical Stresses on the Morphological Stability of Solid Surfaces Vivek Tomar, M. Rauf Gungor, Dimitrios Maroudas
2:15 PM	383f	Ab Initio Phase Diagrams for Water Adsorbed on Monoclinic Hfo2 Atashi Mukhopadhyay, Javier Fdez. Sanz, Charles B. Musgrave
2:40 PM	383g	Molecular Simulation Study of Nanoscale Friction between Phosphocholine Self-Assembled Monolayer Surfaces Immersed in Ionic Solution Yi He, Shengfu Chen, Shaoyi Jiang