A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity

The lack of reference aromatic systems in the realm of inorganic aromatic compounds makes the evaluation of aromaticity in all-metal and semimetal clusters a difficult task. To date, calculation of nucleus-independent chemical shifts (NICS) has been the most widely used method to discuss aromaticity...

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Bibliographic Details
Main Authors: Miquel Solà, Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater
Format: Article
Language:English
Published: MDPI AG 2010-06-01
Series:Symmetry
Subjects:
Aromaticity
inorganic clusters
DFT calculations
nucleus-independent chemical shifts
multicenter electronic indices
Online Access:http://www.mdpi.com/2073-8994/2/2/1156/

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http://www.mdpi.com/2073-8994/2/2/1156/

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