With its comprehensive coverage of topics with regard to the most important research fields in chemistry and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists using molecular modeling or computational chemistry. Clearly structured according to the molecular properties of compounds and materials, this monograph presents an up-to-date insight written by renowned scientists, bridging a number of methods with applications in such different fields as coordination compounds, proteins, drugs, organic compounds and molecular electronics.