DOI: 10.1126/science.263.5148.791. Theoretical Evidence for a C <sub>60</sub> "Window" Mechanism

Theoretical Evidence for a C 60 "Window" Mechanism

10.1126/science.263.5148.791

Crossref journal-article

American Association for the Advancement of Science (AAAS)

Science (221)

Abstract

On the basis of semiempirical and high-level ab initio calculations, theoretical evidence is presented of a "window" mechanism operable on the surface of C 60 and other fullerenes. Through this mechanism, large holes may be formed in fullerenes excited to their triplet state, openings through which atoms and small molecules can pass. This work provides a theoretical foundation for experiments that have prepared endohedral noble gas compounds of C 60 under thermal excitation. A method is proposed that could increase the efficiency of the process of noble gas insertion into C 60 and provide a more general means to create endohedral fullerene compounds.

Bibliography

Murry, R. L., & Scuseria, G. E. (1994). Theoretical Evidence for a C 60 âWindowâ Mechanism. Science, 263(5148), 791â793.

Authors 2

Robert L. Murry (first)
Gustavo E. Scuseria (additional)

References 32 Referenced 139

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Dates

Type	When
Created	18 years, 10 months ago (Oct. 5, 2006, 8:01 p.m.)
Deposited	1 year, 7 months ago (Jan. 12, 2024, 5:57 p.m.)
Indexed	1 month, 4 weeks ago (July 2, 2025, 4:10 p.m.)
Issued	31 years, 6 months ago (Feb. 11, 1994)
Published	31 years, 6 months ago (Feb. 11, 1994)
Published Print	31 years, 6 months ago (Feb. 11, 1994)

Funders 0

None

BibTeX

@article{Murry_1994, title={Theoretical Evidence for a C 60 “Window” Mechanism}, volume={263}, ISSN={1095-9203}, url={http://dx.doi.org/10.1126/science.263.5148.791}, DOI={10.1126/science.263.5148.791}, number={5148}, journal={Science}, publisher={American Association for the Advancement of Science (AAAS)}, author={Murry, Robert L. and Scuseria, Gustavo E.}, year={1994}, month=feb, pages={791–793} }

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