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

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 c [...]
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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.