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46965-SE
Computational Electrochemistry for New Energy, at the ACS National Meeting , August 2007, Boston, MA

Michel Dupuis, Pacific Northwest National Laboratory

Advances in several areas of recognized critical importance to new energy technologies that play a role in an hydrogen economy, solar energy utilization, environmental chemistry, photocatalysis, proton transport, and oxidation reduction chemistry, rely upon a detailed understanding of electrochemistry and the effective use of this knowledge in this broad range of applications. The control of chemical transformations in these technologies remains a recognized leading challenge because they involve oxidation/ reduction, bond breaking/formation, and/or electron/hole transfer, proton transport, often in the complex environment of a solid-liquid interface and/or in the presence of a current potential. The Symposium was devoted to bringing together theoretical and computational chemists to showcase the latest developments of theories and methods that are advancing computational electrochemistry.

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