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The magnetic circular dichroism spectrum of the C 60 fullerene.

Authors :
Fahleson, Tobias
Kauczor, Joanna
Norman, Patrick
Coriani, Sonia
Source :
Molecular Physics; Jul2013, Vol. 111 Issue 9-11, p1401-1404, 4p
Publication Year :
2013

Abstract

The magnetic circular dichroism spectrum of the C60fullerene has been determined with the use of Kohn–Sham density functional theory in conjunction with the CAM-B3LYP exchange-correlation functional. The experimental spectrum of Gasynaet al.[Chem. Phys. Lett.183, 283 (1991)] covering the wavelength region above 200 nm is explained by the signal responses from the three lowest singlet states ofT1usymmetry. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00268976
Volume :
111
Issue :
9-11
Database :
Complementary Index
Journal :
Molecular Physics
Publication Type :
Academic Journal
Accession number :
89571304
Full Text :
https://doi.org/10.1080/00268976.2013.779394