
Computational Chemistry
A Practical Guide for Applying Techniques to Real World Problems
- English
- PDF
- Available on iOS & Android
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.
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Information
Table of contents
- CONTENTS
- PREFACE
- ACKNOWLEDGMENTS
- SYMBOLS USED IN THIS BOOK
- 1. Introduction
- Part I. BASIC TOPICS
- Part II. ADVANCED TOPICS
- Part III. APPLICATIONS
- Appendix. Software Packages
- GLOSSARY
- INDEX
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