Meeting Energy & Environmental Challenges Through Functional Materials
Computational Chemistry
Peter Politzer and Jane S. Murray
During the past 20 years, remarkable advances in both methodology and processor technology have allowed computational chemistry to evolve into an important tool for addressing problems of practical interest and significance. The presentations in this symposium are intended to illustrate a wide range of applications, including fuel cells, nanomaterials, molecular electronics, sensors, nonlinear optical activity, signal transduction, actinide chemistry and anti-cancer agents. There will also be discussion of different aspects of intermolecular complexes (including the very active area of halogen bonding), metal/DNA interactions, and new concepts in analyzing chemical reactions and in modeling complex systems.
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