Density Functional Calculations of the 29Si and 27Al MAS NMR Spectra of the Zeolite Mazzite: Analysis of Geometrical and Electronic Effects
Author:
Affiliation:
1. UMR 5618 CNRS, Ecole Nationale Supérieure de Chimie, 8 rue de l'Ecole Normale, 34296 Montpellier, Cédex 5, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp983121i
Reference43 articles.
1. Resolving crystallographically distinct tetrahedral sites in silicalite and ZSM-5 by solid-state NMR
2. Ultra-high resolution 29Si MAS NMR spectra of highly siliceous zeolites
3. 29Si-NMR-Untersuchungen zur Verteilung der Silicium-und Aluminiumatome im Alumosilicatgitter von Zeolithen mit Faujasit-Struktur
4. A re-examination of Si, Al ordering in zeolites NaX and NaY
5. Characterization of the silicon-aluminum distribution in synthetic faujasites by high-resolution solid-state silicon-29 NMR
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