Limit search to available items
Book Cover
E-book

Title Reviews in computational chemistry. Volume 1 / edited by Kenny B. Lipkowitz and Donald B. Boyd
Published New York, N.Y. : VCH, ©1990

Copies

Description 1 online resource (xix, 419 pages) : illustrations
Contents Reviews in Computational Chemistry; Contents; Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions; Semiempirical Molecular Orbital Methods; Properties of Molecules by Direct Calculation; The Application of Quantitative Design Strategies in Pesticide Discovery; Chemometrics and Multivariate Analysis in Analytical Chemistry; Searching Databases of Three-Dimensional Structures; Molecular Surfaces; Computer Simulation of Biomolecular Systems Using Molecular Dynamics and Free Energy Peturbation Methods; Aspects of Molecular Modeling
Summary This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts. In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discus
Bibliography Includes bibliographical references and index
Notes Print version record
Subject Chemistry -- Data processing.
Chemistry -- Mathematics.
Cheminformatics
Chemistry -- Data processing
Chemistry -- Mathematics
Chemie.
Wiskundige methoden.
Kwantumchemie.
Moleculaire dynamica.
Form Electronic book
Author Lipkowitz, Kenny B.
Boyd, Donald B.
ISBN 9780470126059
9780470125786
0470125780
0470126051