Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.

The principal objective of this book is to stimulate interest in research that will extend available theory towards a greater understanding of the steps involve

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

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional

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