Reviews in Computational Chemistry, Volume 19

The Reviews in Computational Chemistry series brings together leading authorities in the field. The chapters in this book series are written to teach the newcomer and update the expert. Topics include computational chemistry, molecular modeling, computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR).

• Detailed author and subject indices on each volume help the reader to quickly discover particular topics.
• The chapters are approached in a tutorial manner and written in a non-mathematical style allowing students and researchers to access computational methods outside their immediate area of expertise.

Auch Band 19 dieser seit Jahren bewährten und erfolgreichen Reihe führt Neueinsteiger in moderne Forschungsgebiete der Computerchemie ein und hilft Fachleuten, auf dem Laufenden zu bleiben.
- international renommierte Fachleute diskutieren Themen aus den Bereichen Molecular modeling, Quantenchemie, computergestütztes Moleküldesign (CAMD), Molekülmechanik und -dynamik sowie QSAR (Quantitative Struktur-Reaktivitäts-Beziehungen)
- ausführliche Autoren- und Sachregister erleichtern die Orientierung
- Beiträge sind allgemein verständlich geschrieben und enthalten nur das notwendige Minimum an mathematischen Formalismen; dadurch ist die Reihe auch geeignet für Leser, die sich nicht hauptsächlich mit den genannten Fachgebieten beschäftigen 1. Computational Techniques and Strategies for Monte Carlo Thermodynamic Calculations, with Applications to Nanoclusters (Robert Q. Topper, et al.).

2. Computing Hydrophobicity (David E. Smith and Anthony D.J. Haymet).

3. Born-Oppenheimer Direct Dynamics Classical Trajectory Simulations (Lipeng Sun and William L. Hase).

4. The Poisson-Boltzmann Equation (Gene Lamm).

Author Index.

Subject Index.

"This series as a whole is a valuable contribution to the field of computational chemistry, and this latest volume is no exception." (Journal of Chemical Information and Computer Sciences, July 2004)

"…covers an eclectic range of computational techniques in the area of molecular and macromolecular modeling…well written and should serve as a useful reference for both students and researchers…" (Journal of the American Chemical Society, Vol. 126)

Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University.

Raima Larter is Professors of Chemistry at Indiana University - Purdue University at Indianapolis.

Thomas R. Cundari is Professor of Chemistry at the University of Memphis.

Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 19 is centered on the theme of macroscopic modeling, and discusses topics such as: Monte Carlo simulation techniques, computing hydrophobicity, classical trajectory simulations within the Born-Oppenheimer approximation, and the theory behind the widely used Poisson-Boltzmann equation.

FROM REVIEWS OF THE SERIES

"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."
–JOURNAL OF MOLECULAR GRAPHICS AND MODELLING

"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."
–JOURNAL OF THE AMERICAN CHEMICAL SOCIETY