py.Aroma: An Intuitive Graphical User Interface for Diverse Aromaticity Analyses

py.Aroma: An Intuitive Graphical User Interface for Diverse Aromaticity Analyses

The nucleus-independent chemical shift (NICS) criterion plays a significant role in evaluating (anti-)aromaticity. While being readily accessible even for non-computational chemists, adding ghost atoms for multi-points NICS evaluations poses a significant challenge. In this article, I introduce py.A...

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Bibliographic Details
Main Author: Zhe Wang
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Chemistry
Subjects:
aromaticity
NICS
ICSS
HOMA
NMR
Online Access:https://www.mdpi.com/2624-8549/6/6/103
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