This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume high

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

Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. C

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range o