Reviews in Computational Chemistry (Reviews in Computational Chemistry) 〈19〉

Lipkowitz, Kenny B./ Larter, Raima (EDT)/ Cundari, Thomas R. (EDT)

Wiley-VCH（2003/09発売）

• 製本 Hardcover:ハードカバー版／ページ数 416 p.
• 言語 ENG
• 商品コード 9780471235859
• DDC分類 540

Full Description

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.

Contents

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.