Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures

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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.

Author(s): Oleksandr Loboda (auth.)
Series: Carbon Nanostructures
Edition: 1
Publisher: Springer-Verlag Berlin Heidelberg
Year: 2013

Language: English
Pages: 154
Tags: Nanotechnology;Physical Chemistry;Nanoscale Science and Technology

Front Matter....Pages i-xviii
Porphyrins....Pages 1-25
Exohedral Metallofullerenes....Pages 27-47
Nonlinear Optical Properties of Fullerene Derivatives....Pages 49-97
Endohedral Metallofullerenes....Pages 99-111
Fullerene–Porphyrin Dyads....Pages 113-122
Linear Scaling Methodology....Pages 123-151