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Characterization of the SiOT Angle and Cation Effects on 29Si Chemical Shifts Of Zeolites
Authors:Ming-Der Su  Kuei-Jung Chao  San-Yan Chu  Cheu-Pyeng Chen
Abstract:The quantitative relationships between 29Si chemical shifts and (a) the SiOT (T = Al or Si) angles and (b) the nature of the cations of the alkali forms of zeolites can be account for by the changes of charge density and p electron population of the Si atoms as calculated by the extended Hückel method on cluster models.
Keywords:29Si nmr  quantum calculation
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