Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures
This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.
Presents a new, less expensive tool for studying the electronic structure of nanocompoundsParticularly interesting for those working with solar cells and LEDsChapter focusing on the interaction of metals with fullerenes