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

ISBN-13: 9780470880081 / Angielski / Miękka / 2001 / 408 str.

David C. Young

Opis

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.