Reviews in Computational Chemistry

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Description

The Reviews in Computational Chemistry series bringstogether leading authorities in the field. The chapters in thisbook series are written to teach the newcomer and update theexpert. Topics include computational chemistry, molecular modeling,computer-assisted molecular design (CAMD), quantum chemistry,molecular mechanics and dynamics, and quantitativestructure-activity relationships (QSAR). * Detailed author and subject indices on each volume help thereader to quickly discover particular topics. * The chapters are approached in a tutorial manner and written ina non-mathematical style allowing students and researchers toaccess computational methods outside their immediate area ofexpertise.



Auteur

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.



Texte du rabat
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



Contenu
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.

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Détails sur le produit

Titre
Reviews in Computational Chemistry
éditeur
EAN
9780471466642
ISBN
978-0-471-46664-2
Format
eBook (pdf)
Producteur
Wiley-VCH
Editeur
Wiley-Vch
Genre
Chimie
Parution
21.10.2003
Protection contre la copie numérique
Adobe DRM
Taille de fichier
6.02 MB
Nombre de pages
424
Année
2003
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