ArticleJournal of molecular modeling2023
Information theory and thermodynamic properties of diatomic molecules using molecular potential.
Article in Journal of molecular modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed.
- Molecular Pöschl-Teller oscillator-based modeling of ozone thermal properties.Journal of molecular modeling · 2025Article
- Relativistic bound state solutions and quantum information theory in D dimensions under exponential-type plus Yukawa potentials.Scientific reports · 2024Article
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9 authors.
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Abstract
Owing to the devise applications of molecules in industries, the bound state solution of the non-relativistic wave equation with a molecular potential function has been obtained in a closed-form using the Nikiforov-Uvarov method. The solutions of the bound state are then applied to study the information-theoretic measures such as the one-dimensional Shannon and Renyi entropic densities. The expectation values for the position and momentum spaces were obtained to verify the Heisenberg's uncertainty principle. Utilizing the energy spectrum equation, the thermodynamic vibrational partition function is obtained via the Poisson summation. Other thermodynamic function variations with absolute temperature have been obtained numerically for four diatomic molecules (H
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