Reviews in Computational Chemistry, Volume 19

ISBN-13: 9780471235859 / Angielski / Twarda / 2003 / 424 str.

Kenneth B. Lipkowitz; Raima Larter; Thomas R. Cundari

Opis

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.

Recenzje

"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)

Spis treści

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.

O autorze

Kenny B. Lipkowitz and Raima Larter are Professors of Chemistry at Indiana University – Purdue University at Indianapolis. Tom Cundari is Professor of Chemistry at the University of Memphis.

Blurb

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