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A molecular beam electric deflection study of clusters: acid and salt molecules in microscopic aqueous and ammonia clusters

✍ Scribed by Bruce D. Kay; R. Hofmann-Sievert; A.W. Castleman Jr.


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
833 KB
Volume
102
Category
Article
ISSN
0301-0104

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The electric field gradient (EFG) has been calculated in zeolite clusters at the aluminium site surrounded by four SiO, tetrahedra. Density functional theory (DFT) with the 6-31G \* \* basis set has been employed. Formation of a Bronsted acid site by protonation of one oxygen atom of the AlO, tetrah