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On topological descriptor based heat of formation and entropy measure for actinium(III) fluoride

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Silvery radioactive metallic element is known as actinium. Due to its high radioactivity and blue light, actinium glows in the dark. A recent discipline of applied chemistry is chemical graph theory. A topological index is a numerical value that links the thermodynamic properties of a chemical structure. Due to the importance of this structure, we computed the topological indices such as Randic, Zagreb Indices and so on. In this paper, we calculate topological indices of actinium(III) fluoride. A few degree-based entropies are computed from topological indices. Additionally, a connection has been made between the thermodynamic features of actinium(III) fluoride and Shannon entropy. The numerical and graphical representations of the computed data were combined with curve fitting between the calculated information entropies and the heat of formation.

Original languageEnglish
Article numbere2215160
JournalMolecular Physics
DOIs
StateAccepted/In press - 2023
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2023 Informa UK Limited, trading as Taylor & Francis Group.

Keywords

  • Randic index
  • Shannon entropy
  • actinium(III) fluoride
  • entropy
  • forgotten index
  • heat of formation

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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