QSPR analysis of carbon allotropes by employing molecular descriptors and information entropies

• Published in: Ain Shams Engineering Journal Vol. 14; no. 11; p. 102542
• Main Authors: Rahul, M.P., Clement, Joseph
• Format: Journal Article
• Language: English
• Published: Elsevier 01.11.2023
• Subjects: Carbon allotropes; Edge partition method; Graphene derivatives; Molecular descriptors; Shannon's entropy

The inherent qualities of carbon nanosheets that come from their underlying molecular structure have drawn an enormous amount of interest from researchers. Molecular descriptors are commonly used graph-theoretic metrics to analyze the physicochemical properties of a molecule based on its molecular s...