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Quantum-chemical investigation of the formation of Lewis acid centers of high-siliceous zeolites

✍ Scribed by A.A Lamberov; An.M Kuznetsov; M.S Shapnik; A.N Masliy; S.V Borisevich; R.G Romanova; S.R Egorova


Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
325 KB
Volume
158
Category
Article
ISSN
1381-1169

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The quantum-chemical investigation of the Lewis acid site (LAS) geometric structure for perfect dehydroxylated cr-A&O, faces ( 0001)) ( 1120) and ( 2240) produced by oxide chopping along the chosen crystallographic direction was performed by the semiempirical approximation SCF MO LCAO MIND0/3 in the