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Solvent-assisted proton transfer in catalysis by zeolite solid acids

✍ Scribed by Haw, James F.; Nicholas, John B.; Xu, Teng; Goguen, Patrick W.

Book ID
109800127
Publisher
Nature Publishing Group
Year
1997
Tongue
English
Weight
302 KB
Volume
389
Category
Article
ISSN
0028-0836

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A number of cluster models used to study the interaction of NH and NH q 3 4 with the Brønsted sites of the acidic zeolite, chabazite, are assessed by comparison with the results from full periodic Hartree᎐Fock calculations. Corrections to bare cluster models to take account of the electrostatic envi