2005 Annual Meeting

Session: Computational Modeling of Surfaces and Surface Phenomena

Chair

Gyeong S. Hwang, The University of Texas at Austin

Co-Chair

Aravind Asthagiri, University of Florida

Presentations

12:30 PM

(56a) Experimental and Computational Probing of the Transition States to Surface Reactions
Andrew J. Gellman, David S. Sholl, Xin Li

12:55 PM

(56b) First-Principles Studies of Amino Acid Adsorption on Chiral Mineral Surfaces
Robert M. Hazen

01:20 PM

(56c) Accelerated Molecular Dynamics Simulation of Thermal Desorption
Kelly E. McLaughlin

01:45 PM

(56d) Surface Smoothening Mechanism of Plasma-Deposited Amorphous Silicon Thin Films
Mayur S. Valipa, Tamas Bakos, Eray S. Aydil, Dimitrios Maroudas

02:10 PM

(56e) A Simple Chemical View of Relaxations at (110) Surfaces of Rutile Structure-Type Oxides
Thomas A. Muscenti, Gerald V. Gibbs

02:35 PM

(56f) Surface Structure and Reactivity of Clean and Hydrated Α-Fe2O3
Cynthia S. Lo, Anne M. Chaka, Thomas P. Trainor