Quantum-Chemical Studies on Porphyrins, Fullerenes and Carbon Nanostructures

ISBN-13: 9783642447754 / Angielski / Miękka / 2014 / 154 str.

Oleksandr Loboda

Opis

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.

Spis treści

Porphyrins.- Exohedral Metallofullerenes.- Nonlinear optical properties of fullerene derivatives.- Enhohedral metallofullerenes.- Fullerene-Porphyrin Dyads.- Linear Scaling Methodology.