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The structure and properties of the dehydroxylated silica surface: Quantum-chemical studies

โœ Scribed by V.I. Lygin; O.I. Chertihina

Publisher
Elsevier Science
Year
1992
Weight
190 KB
Volume
63
Category
Article
ISSN
0166-6622

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The importance of geometry and its relation with property in montmorillonite have been studied in terms of octahedral ลฝ . aluminum and tetrahedral silicon present in the framework. Quantum chemical QC calculations were performed using ลฝ . ลฝ . MNDO modified neglect of differential overlap and DFT den