## Abstract Aromaticity is a central chemical concept widely used in modern chemistry for the interpretation of molecular structure, stability, reactivity, and magnetic properties of many compounds. As such, its reliable prediction is an important task of computational chemistry. In recent years, m
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity
✍ Scribed by Solà, Miquel; Feixas, Ferran; Jiménez-Halla, J. Oscar C.; Matito, Eduard; Poater, Jordi
- Book ID
- 120518223
- Publisher
- MDPI AG
- Year
- 2010
- Tongue
- English
- Weight
- 711 KB
- Volume
- 2
- Category
- Article
- ISSN
- 2073-8994
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## Abstract Several definitions of an atom in a molecule (AIM) in three‐dimensional (3D) space, including both fuzzy and disjoint domains, are used to calculate electron sharing indices (ESI) and related electronic aromaticity measures, namely, __I__~ring~ and multicenter indices (MCI), for a wide
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