Comprehensive theoretical study of all 1812 C60 isomers-Reference-Cited by-同舟云学术

Comprehensive theoretical study of all 1812 C60 isomers

Published:2017 Issue:22 Volume:19 Page:14296-14305
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sure Rebecca¹²³⁴⁵,Hansen Andreas¹²³⁴⁵,Schwerdtfeger Peter⁶⁷⁸⁹¹⁰,Grimme Stefan¹²³⁴⁵^ORCID

Affiliation:

1. Mulliken Center for Theoretical Chemistry

2. Institut für Physikalische und Theoretische Chemie

3. Universität Bonn

4. 53115 Bonn

5. Germany

6. Centre of Theoretical Chemistry and Physics

7. The New Zealand Institute for Advanced Study

8. Massey University Auckland

9. 0745 Auckland

10. New Zealand

Abstract

All 1812 C₆₀ isomers are investigated with high-level quantum chemical methods to benchmark semiempirical approaches and find appropriate stability criteria.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00735C

Reference100 articles.

1. The Structural Chemistry of Crystalline Carbon: Geometry, Stability, and Electronic Spectrum

2. C60: Buckminsterfullerene

3. C60: Buckminsterfullerene, The Celestial Sphere that Fell to Earth

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