Abstract
Fragments of the zeolite structure have been calculated by the EHT method. The results are in agreement with spectral data on structural hydroxy groups of zeolites.
Abstract
Методом PMX рассчитаны фрагменты структуры цеолита. Результаты расчёта коррелируют с данными спектральных исследований структурных гидроксильных групп цеолита.
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References
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Lygin, V.I., Gryaznova, Z.V. & Seregina, V.A. Quantum-chemical calculation on models of hydroxy-containing zeolite fragments. React Kinet Catal Lett 9, 65–68 (1978). https://doi.org/10.1007/BF02070370
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DOI: https://doi.org/10.1007/BF02070370