First principle computational modeling of electronic

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dc.contributor.authorBasnayake,B. M. M. D
dc.contributor.authorDe Silva,W. W. P
dc.contributor.authorRatnaweera,C. N
dc.date.accessioned2026-09-25T06:28:41Z
dc.date.available2026-09-25T06:28:41Z
dc.date.issued2026-05-02
dc.descriptionAbstract No: 2025_353 Page No 49
dc.description.abstractZeolites are microporous, crystalline, hydrated aluminosilicate minerals known for their function as “molecular sieves.” They are widely used for ion exchange, adsorption, and catalysis.
dc.identifier.issn1012-8999
dc.identifier.urihttps://dr.ichemc.ac.lk/handle/123456789/504
dc.language.isoen
dc.publisherInstitute of Chemestry Ceylon
dc.relation.ispartofseries43; 2
dc.subjectZeolite
dc.subjectElectronic structure
dc.subjectStructural properties
dc.subjectDensity functional theory (DFT)
dc.subjectQuantum ESPRESSO
dc.titleFirst principle computational modeling of electronic
dc.title.alternativestructural properties of zeolites by using periodic DFT
dc.typeArticle

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