The last decade has been characterized by a growing interest in liquid crystalline materials of increasing complexity (ferroelectrics, biaxial nematics, elastomers, dendrimers, etc.). The fundamental research on these materials, showing an optimal response to external stimula (e.g. electric and magnetic fields), is aimed to prepare the way to new technological breakthroughs. This book provides an extensive overview of how ab initio calculations combined with Nuclear Magnetic Resonance can be an indispensable tool to understand the relation among specific molecular structures, ...