Downloads: 6
Review Paper | Chemistry | Volume 15 Issue 7, July 2026 | Pages: 568 - 575 | India
A Review of Computational Approaches for Aromaticity Assessment
Abstract: The present study briefly reviews various aromaticity indices that are employed for assessment of aromaticity. Magnetic, geometric, energetic, and electronic criteria are discussed in the article to evaluate aromaticity which is a complex and system dependent phenomenon. Among a specific criterion, various indices are compared to quantify aromaticity. This review will help in assessing advantage of an index under a particular criterion as compared to other one. Heteroatom like N, O, and S effect on aromaticity is also deliberated in the article. After discussing several indices, we can suggest that single aromaticity index is insufficient to describe the aromaticity as it a multidimensional property. A combination of various indices is a better approach to assess and compare aromaticity in different types of compounds.
Keywords: Aromatic, Aromaticity index, ISE, HOMA, Multicenter Index, NICS
How to Cite?: Jyoti Tyagi, Kulsum Husain, Sanjeev Kumar Mishra, "A Review of Computational Approaches for Aromaticity Assessment", Volume 15 Issue 7, July 2026, International Journal of Science and Research (IJSR), Pages: 568-575, https://www.ijsr.net/getabstract.php?paperid=SR26707105701, DOI: https://dx.doi.org/10.21275/SR26707105701