This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.

Contributions by: Carlos Alemán, Veronica Ambrogi, Oscar Bertran, Pierfrancesco Cerruti, Paulo Costa, Mauro Fianchini, Marta Giamberini, Iwona Gulaczyk, Renata Jastrzab, Malgorzata Teresa Kaczmarek, Xavier López, Valentina Marturano, Akira Odani, Jordi Puiggalí, Guillem Revilla-López, Katarzyna Staszak, Maciej Staszak, Juan Torras, Irene Tsibranska, Pau Turón, Serafim Vlaev, Karolina Wieszczycka, David Zanuy