Description
Book SynopsisA series that brings together leading authorities in the field to present chapters 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).
Trade Review"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)
Table of Contents1. 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.
