The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
On the performance of some aromaticity indices: A critical assessment using a test set
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, many methods to quantify aromaticity based on different physicochemical properties of molecules have been proposed. However, the nonobservable nature of aromaticity makes difficult to assess the performance of the numerous existing indices. In the present work, we introduce a series of fifteen aromaticity tests that can be used to analyze the advantages and drawbacks of a group of aromaticity descriptors. On the basis of the results obtained for a set of ten indicators of aromaticity, we conclude that indices based on the study of electron delocalization in aromatic species are the most accurate among those examined in this work. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
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Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
Krishnan, R., Binkley, J. S., Seeger, R., & Pople, J. A. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438955 · Cited by 17,772
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
Schleyer, P. V. R., Maerker, C., Dransfeld, A., Jiao, H., & van Eikema Hommes, N. J. R. (1996) · Journal of the American Chemical Society · doi:10.1021/ja960582d · Cited by 6,210
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chen, Z., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2005) · Chemical Reviews · doi:10.1021/cr030088+ · Cited by 3,847
Krygowski, T. M. (1993) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00011a011 · Cited by 1,320
Which NICS Aromaticity Index for Planar π Rings Is Best?
Fallah-Bagher-Shaidaei, H., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2006) · Organic Letters · doi:10.1021/ol0529546 · Cited by 1,257
To What Extent Can Aromaticity Be Defined Uniquely?
Cyrañski, M. K., Krygowski, T. M., Katritzky, A. R., & Schleyer, P. V. R. (2002) · The Journal of Organic Chemistry · doi:10.1021/jo016255s · Cited by 727
The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
Matito, E., Duran, M., & Solà, M. (2005) · The Journal of Chemical Physics · doi:10.1063/1.1824895 · Cited by 516
Self-citationSteiner, E., & Fowler, P. W. (2001) · The Journal of Physical Chemistry A · doi:10.1021/jp011955m · Cited by 459
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Rosenberg, M., Dahlstrand, C., Kilså, K., & Ottosson, H. (2014) · Chemical Reviews · doi:10.1021/cr300471v · Cited by 505
Magnetic criteria of aromaticity
Gershoni-Poranne, R., & Stanger, A. (2015) · Chem. Soc. Rev. · doi:10.1039/c5cs00114e · Cited by 494
Forty years of Clar's aromatic π-sextet rule
Solà, M. (2013) · Frontiers in Chemistry · doi:10.3389/fchem.2013.00022 · Cited by 473
Self-citationZubarev, D. Y., & Boldyrev, A. I. (2008) · The Journal of Organic Chemistry · doi:10.1021/jo801407e · Cited by 278
Merino, G., Solà, M., Fernández, I., Foroutan-Nejad, C., Lazzeretti, P., Frenking, G., Anderson, H. L., Sundholm, D., Cossío, F. P., Petrukhina, M. A., et al. (2023) · Chemical Science · doi:10.1039/d2sc04998h · Cited by 210
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Metadata
- Authors
- Feixas, F., Matito, E., Poater, J., & Solà, M.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 2008-05-27
- Volume
- 29
- Issue
- 10
- Pages
- 1543-1554
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2099182633
- Cited by
- 312
- References
- 11
- FWCI
- 9.74
- Type
- journal article
- Language
- en
- Open access
- closed
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