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.