Simulating fullerene polyhedral formation from planar precursors-Reference-Cited by-同舟云学术

Simulating fullerene polyhedral formation from planar precursors

Published:2021 Issue:11 Volume:23 Page:6561-6573
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Heuser Benjamin¹²³⁴⁵^ORCID,Mikkelsen Kurt V.⁶⁷⁴^ORCID,Avery James E.⁸³⁴^ORCID

Affiliation:

1. Niels Bohr Institute

2. University of Copenhagen

3. 2100 Copenhagen Ø

4. Denmark

5. Helmholtz-Zentrum Dresden-Rossendorf

6. Department of Chemistry, University of Copenhagen

7. 2100 København Ø

8. Niels Bohr Institute and DIKU, University of Copenhagen

Abstract

The synthesis path of the C₆₀-Buckyball fullerene from a planar precursor developed by [Scott et al., Science, 2002, 295, 5559] is investigated with density functional theory (DFT) methods.

Funder

Villum Fonden

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04901H

Reference33 articles.

1. P. W. Fowler and D. E.Manolopoulos , An Atlas of Fullerenes , Dover Publications Inc. , Mineola, New York , 2nd edn, 2006

2. A universal set of growth operations for fullerenes

3. The Generation of Fullerenes

4. Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes

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