Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words:

Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas.

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry,

Filling a gap in literature, this self-contained book presents theoretical and application-oriented results that allow for a structural exploration of complex n

This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empi