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- W3127964346 abstract "Topological descriptors are non-empirical numerical quantities that describe molecular structures. These descriptors are fundamental to the QSAR/QSPR techniques that lay the groundwork for theoretical chemists to study and synthesize chemical structures. Entropic network measures are a class of topological descriptors with applications that range from quantitative characterization of a molecular structure to the study of certain chemical properties of molecular graphs. This paper focusses on computing analytical expressions of degree-based entropy measures for three prominent classes of polycyclic aromatic hydrocarbons with a coronene molecule at their center. The intriguing properties of these classes of compounds and their widespread availability warrant a study of their nature and properties from a structural standpoint. The numerical values of the entropy measures computed in this paper also provide an insight into the relationship between the entropy measures and the molecular structure." @default.
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- W3127964346 date "2021-02-09" @default.
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- W3127964346 title "Structural Analysis of Three Types of PAHs using Entropy Measures" @default.
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- W3127964346 doi "https://doi.org/10.1080/10406638.2021.1884101" @default.
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