First principle computational modeling of electronic
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Date
2026-05-02
Journal Title
Journal ISSN
Volume Title
Publisher
Institute of Chemestry Ceylon
Abstract
Zeolites are microporous, crystalline, hydrated
aluminosilicate minerals known for their function
as “molecular sieves.” They are widely used for ion
exchange, adsorption, and catalysis.
Description
Abstract No: 2025_353
Page No 49
Keywords
Zeolite, Electronic structure, Structural properties, Density functional theory (DFT), Quantum ESPRESSO