Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common

This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy an

This textbook does away with the classic, unimaginative approach and comes straight to the point with a bare minimum of mathematics -- emphasizing the understan

Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the recent adv

This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers with diffe