Low Pressure | |||
Session 383 - Computational Modeling of Surfaces and Surface Phenomena | |||
This session will focus on the use of computational chemistry to model surface phenomena. | |||
Chair: | Gyeong S. Hwang | ||
CoChair: | Aravind R. Asthagiri | ||
CoSponsor(s): | Catalysis and Reaction Engineering Division | ||
383a | Chiral Adsorption on Cu Surfaces David S. Sholl, Rees B. Rankin, Bhawna Bhatia, Joanna James | ||
383b | Development of the Oxygen Reduction Reaction Mechanism on Pt(111) Using Dft Matthew P. Hyman, Will Medlin | ||
383c | The Growth of Thin Metal Films on Polar Metal Oxides Surfaces: Insights from First-Principles Calculations Aravind R. Asthagiri | ||
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 | ||
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 | ||
383f | Ab Initio Phase Diagrams for Water Adsorbed on Monoclinic Hfo2 Atashi Mukhopadhyay, Javier Fdez. Sanz, Charles B. Musgrave | ||
383g | Molecular Simulation Study of Nanoscale Friction between Phosphocholine Self-Assembled Monolayer Surfaces Immersed in Ionic Solution Yi He, Shengfu Chen, Shaoyi Jiang |
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