Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Author(s): David C. Young

Published Online: 25 APR 2002

Print ISBN: 9780471333685

Online ISBN: 9780471220657

DOI: 10.1002/0471220655

About this Book

A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems.

  • Provides nonmathematical explanations of advanced topics in computational chemistry.
  • Focuses on when and how to apply different computational techniques.
  • Addresses computational chemistry connections to biochemical systems and polymers.
  • Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques.
  • Describes how the choice of methods of software affects requirements for computer memory and processing time.

Table of contents

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  1. Part I: Basic Topics

  2. Part II: Advanced Topics

  3. Part III: Applications

    1. You have free access to this content
    1. You have free access to this content

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