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- W3166183183 endingPage "3566" @default.
- W3166183183 startingPage "3566" @default.
- W3166183183 abstract "In this article, the results of computational structural studies on Al-containing zeolites, via periodic DFT + D modelling and FDM (Finite Difference Method) to solve the Schrödinger equation (FDMNES) for XAS simulations, corroborated by EXAFS (Extended X-ray Absorption Fine Structure) spectroscopy and PXRD (powder X-ray diffractometry), are presented. The applicability of Radial Distribution Function (RDF) to screen out the postulated zeolite structure is also discussed. The structural conclusions are further verified by HR-TEM imaging." @default.
- W3166183183 created "2021-06-22" @default.
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- W3166183183 date "2021-06-10" @default.
- W3166183183 modified "2023-10-14" @default.
- W3166183183 title "Structural Studies of Aluminated form of Zeolites—EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling" @default.
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- W3166183183 doi "https://doi.org/10.3390/molecules26123566" @default.
- W3166183183 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8230598" @default.
- W3166183183 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34200976" @default.
- W3166183183 hasPublicationYear "2021" @default.
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