Quantum chemical calculations on cationic positions and adsorption complexes in A-type zeolite

G. Tasi, I. Kiricsi, I. Farkas, L. Nyerges, H. Förster

Research output: Contribution to journalArticle

Abstract

Semiempirical quantum chemical calculations (MNDO, AM1 and PM3) have beenperformed for determining the possible positions of exchangeable cations and geometries of sorption complexes of cyclopropane and propene in zeolite A.

Original languageEnglish
Pages (from-to)771-778
Number of pages8
JournalStudies in Surface Science and Catalysis
Volume94
Issue numberC
DOIs
Publication statusPublished - 1995

Fingerprint

Zeolites
cyclopropane
sorption
Propylene
Cations
Sorption
Positive ions
Adsorption
cations
adsorption
Geometry
geometry
propylene

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Catalysis
  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Surfaces, Coatings and Films

Cite this

Quantum chemical calculations on cationic positions and adsorption complexes in A-type zeolite. / Tasi, G.; Kiricsi, I.; Farkas, I.; Nyerges, L.; Förster, H.

In: Studies in Surface Science and Catalysis, Vol. 94, No. C, 1995, p. 771-778.

Research output: Contribution to journalArticle

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AU - Förster, H.

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