First-Principles Studies on Dioxin and Furan Formation from Organic Halides: Mechanisms, Inhibition, and Prevention Strategies

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dc.contributor.authorHussain, Raghibul
dc.date.accessioned2026-07-31T10:55:43Z
dc.date.issued2026
dc.descriptionBanerjee, Tamal
dc.descriptionPugazhenthi, G.
dc.description.abstractUNDER EMBARGO
dc.identifier.otherROLL NO.206107024
dc.identifier.urihttps://gyan.iitg.ac.in/handle/123456789/3445
dc.language.isoen
dc.relation.ispartofseriesTH-3879
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/4.0/
dc.rights.urihttps://creativecommons.org/licenses/by-nc-sa/4.0/
dc.subjectActivation Energy
dc.subjectBiphenylene
dc.subjectChlorophenol
dc.subjectDensity Functional Theory (DFT)
dc.subjectDioxin
dc.subjectFuran
dc.subjectKinetic Inhibition
dc.subjectMetal Decoration
dc.subjectNano-material
dc.subjectPeriodic DFT
dc.subjectReaction Mechanisms
dc.subjectReaction Pathways
dc.subjectRecovery Time
dc.subjectSensor
dc.subjectToxicity
dc.subjectTransition-State Theory
dc.subjectWork-function
dc.subjectψ-Graphene
dc.titleFirst-Principles Studies on Dioxin and Furan Formation from Organic Halides: Mechanisms, Inhibition, and Prevention Strategies
dc.typeThesis

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