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

David Young

abr 2004 · Distribuido por John Wiley & Sons

Acerca de este libro electrónico

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.

Acerca del autor

DAVID YOUNG, PhD, is a scientist with Cytoclonal Pharmaceutics in Dallas, Texas. Prior to joining the team at Cytoclonal, Dr. Young worked as a super-computer analyst for Nichols Research Corporation and Computer Sciences Corporation, and as an affiliate professor of chemistry at Auburn University.