Diels−Alder Reaction between Cyclopentadiene and C60: An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes-Reference-Cited by-同舟云学术

Diels−Alder Reaction between Cyclopentadiene and C60: An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes

Published:2009-08-07 Issue:35 Volume:113 Page:9721-9726
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Osuna Sílvia¹,Morera Josep¹,Cases Montserrat¹,Morokuma Keiji¹,Solà Miquel¹

Affiliation:

1. Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus de Montilivi, E-17071 Girona, Catalonia, Spain, Chemogenomics Laboratory, Research Unit on Biomedical Informatics, Institut Municipal d’Investigació Mèdica and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Dr. Aiguader 88, 08003 Barcelona, Catalonia, Spain, Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, and Fukui Institute for...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp904294y

Reference115 articles.

1. Chemistry of the Fullerenes: The Manifestation of Strain in a Class of Continuous Aromatic Molecules

2. Local Aromatic Character of C60 and C70 and Their Derivatives

3. C60: Buckminsterfullerene

4. The Chemistry of the Fullerenes: An Overview

5. The Chemistry of the Fullerenes

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