Electronic Structure Calculations on Fullerenes and Their Derivatives

Electronic Structure Calculations on Fullerenes and Their Derivatives

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This volume offers a comprehensive overview of approaches employed in contemporary electronic structure calculations on fullerenes, giving readers the opportunity to refresh their knowledge of theoretical methodology. The remainder of the book is organized around individual classes of chemical systems: the medium-size fullerenes; large carbon clusters; hypothetical allotropic forms of carbon; small fullerenes; endohedral complexes; heterofullerenes; fullerenes derivatives; and solid-state fullerenes. A summary of present accomplishments and future directions provides the closing remarks.show more

Product details

  • Hardback | 290 pages
  • 156 x 232 x 30mm | 639.56g
  • Oxford University Press Inc
  • New York, United States
  • English
  • line figures, tables, bibliography
  • 0195088069
  • 9780195088069

Table of contents

1: Preliminaries and historical overview. 2: Theoretical tools of fullerene research. 3: The C60 fullerene. 4: The C70 fullerene. 5: C76, C78, C82, and C84: The medium-size fullerenes. 6: Large spheroidal and tubular fullerenes, graphitic microtubules, and hypothetical polymeric allotropes of carbon. 7: Fullerenes with fewer than sixty carbon atoms. 8: Endohedral complexes. 9: Heterofullerenes and fullerene derivatives. 10: Solid-state properties of fullerenes and their drivatives. 11: Conclusions and future directionsshow more

Review quote

"Professor Cioslowski has presented an up-to-date presentation of the recent progress in quantum-chemical calculations ... The citations appear to be quite complete to publication date." -- Chemical Monographs Review"The first serious attempt to review rationally and concisely the fullerene field from the perspective of a theoretician. . . .Intelligently organized. . . .Cioslowski should be praised for the excellent job he has done reviewing this exciting and rapidly changing field. His book will be a valuable source for both specialists and novices for years to come."--American Scientist"Very interesting and useful."Materials Research Bulletinshow more