Wiley is pleased to announce the Encyclopedia of Computational Chemistry, a milestone publication in this young and fascinating field. The Encyclopedia comprises over 300 articles written by more than 350 contributors. The publication treats all aspects of computational chemistry including ab initio and semiempirical methods, molecular orbital theory, density functional methods, classical mechanical (force field) techniques, molecular modelling, molecular dynamics and Monte Carlo simulations, databases, expert systems, synthesis planning, reaction planning, artificial methods, neural networks and quantitative structure-activity relationships. Both the methods themselves and important applications are described and comprehensive cross-referencing guides readers to related literature.

Each contribution has been carefully selected and reviewed through the collaborative efforts of the Editors-in-Chief and appropriate members of the Editorial Board.


Defining the discipline

Computer methods are used to solve chemical problems which would be intractable or even impossible via experimental methods. In its short thirty year history computational chemistry has firmly established itself as a mainstay of modern industrial and academic chemistry and is now acknowledged as a subdivision of chemistry, alongside the more traditional ones. The rapid emergence of this discipline with applications throughout all areas of chemistry has impacted the work of all chemists and significantly increased efficiency in a number of fields.


A single reference setting a new standard

• Contributions from leading authorities throughout the world
• Covers methods and applications
• Extensive references
• Over 300 full colour illustrations
• Directory of useful contacts
• General overview of available software
  
  
  

Encyclopedia of Computational Chemistry
5 volumes
ISBN: 0-471-96588-X
Publication: September 1998
Price:   £1950          $3150

Images appearing on this website are courtesy of The Scripps Research Institute, La Jolla, CA, USA

© 1998 by John Wiley & Sons, Ltd.