Quantum chemical studies on the sorption state of hydrocarbons in zeolites. SCC-Xα calculations on propene adsorbed to a calcium occupied six-ring cluster-Reference-Cited by-同舟云学术

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Quantum chemical studies on the sorption state of hydrocarbons in zeolites. SCC-Xα calculations on propene adsorbed to a calcium occupied six-ring cluster

Published:1992-06 Issue:3-4 Volume:258 Page:209-216
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Zakharieva-Pencheva O.,Förster H.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference5 articles.

1. A self-consistent charge Xα method. I. Theory

2. Application of semiempirical MO calculations to the interaction of hydrocarbons with zeolites

3. Study of the geometry of cyclopropane adsorbed on a calcium ion in zeolites a by SCC-Xα calculations

4. Theoretical investigation of the interaction of propene with a sodium ion

5. O. Zakharieva-Pencheva, H. Förster and M. Turneva, in preparation.

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Infrared and Raman Spectroscopy;Zeolite Chemistry and Catalysis;2009

2. Normal coordinate analysis of deutero propenes in the free and zeolite-adsorbed state;Spectrochimica Acta Part A: Molecular Spectroscopy;1994-01

3. Infrared Studies of Zeolite Complexes;Spectroscopic and Computational Studies of Supramolecular Systems;1992

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