Loboda O. Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures

Springer, 2012. — 151 pp.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.Porphyrins.
Exohedral Metallofullerenes.
Nonlinear Optical Properties of Fullerene Derivatives.
Endohedral Metallofullerenes.
Fullerene–Porphyrin Dyads.
Linear Scaling Methodology.