The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of c

Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical ch

This book provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increas

The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecu

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most