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The research investigates the characteristics of polymers using density functional theory with the hybrid function technique and the basis set for quantum chemical computations. Polymers with a superior ionization potential and electron affinity, signifying enhanced stability in electron retention,...

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Bibliographic Details
Main Authors: Hameed Sarah, Abdul-Wahid Sahib
Format: Article
Language:English
Published: EDP Sciences 2025-01-01
Series:E3S Web of Conferences
Online Access:https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/14/e3sconf_icaw2024_04024.pdf
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Summary:The research investigates the characteristics of polymers using density functional theory with the hybrid function technique and the basis set for quantum chemical computations. Polymers with a superior ionization potential and electron affinity, signifying enhanced stability in electron retention, polymers possessing a stronger electronic chemical potential, rendering it more chemically reactive, were detected using the above techniques. Spectral research, which underscored the adhesive qualities, was carried out. Furthermore, the polymers, which exhibit superior ultraviolet absorption in the studies region, hence augmenting their appropriateness for ultraviolet curable applications, were identified and thoroughly investigated.
ISSN:2267-1242