Electronic Structure Calculations on Fullerenes and Their Derivatives

by Cioslowski, Jerzy

• ISBN13: 9780195088069
• ISBN10: 0195088069
• Format: Hardcover
• Copyright: 1995-05-25
• Publisher: Oxford University Press

Summary

This book provides a comprehensive overview of the latest approaches to electronic structure calculations of fullerenes. Topics include C(60) and C(70) molecules, the medium-size fullerenes, large carbon clusters, hypothetical allotropic forms of carbon, small fullerenes, endohedral complexes, heterofullerenes, fullerene derivatives, and solid-state fullerenes. A summary of recent research breakthroughs and a discussion of potential future directions round out the book. Far-reaching and well-written, the book will be welcomed by students and researchers in chemistry and quantum physics.

Table of Contents

Preliminaries and Historical Overview

Theoretical Tools of Fullerene Research

The C(60) Fullerene

The C(70) Fullerene

C(76), C(78), C(82) and C(84): The Medium-Size Fullerenes

Large Spheroidal and Tubular Fullerenes, Graphitic Microtubules, and Hypothetical Polymeric Allotropes of Carbon

Fullerenes with Fewer than Sixty Carbon Atoms

Endohedral Complexes

Heterofullerenes and Fullerene Derivatives

Solid-State Properties of Fullerenes and Their Derivatives

Conclusions and Future Directions

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