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A study of the chemistry of isomorphous substitution and characterization of Al-ZSM-5 and Sc-ZSM-5 synthesized in fluoride media

✍ Scribed by Cl. T. Briden; C. D. Williams; D. Apperley

Book ID
110165998
Publisher
SP MAIK Nauka/Interperiodica
Year
2007
Tongue
English
Weight
295 KB
Volume
43
Category
Article
ISSN
0020-1685

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The siting and coordination of Cu(I) pairs in zeolite ZSM-5 have been studied by means of a combined quantum mechanics/interatomic potential function technique (QM-Pot). It couples a density functional theory (DFT) description employing a hybrid functional (B3LYP) for copper ions, including their lo