Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
β Scribed by Zhongfang Chen; Chaitanya S. Wannere; Clemence Corminboeuf; Ralph Puchta; Paul von Rague Schleyer
- Book ID
- 101985208
- Publisher
- John Wiley and Sons
- Year
- 2006
- Weight
- 8 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0931-7597
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β¦ Synopsis
Abstract
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π SIMILAR VOLUMES
## Abstract The aromaticity and localβaromaticity of a large set of polycyclic aromatic hydrocarbons (PAHs) is studied using multicenter delocalization indices from generalized population analysis and the popular nucleus independent chemical shift (NICS) index. A method for the fast computation of
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