Lattice vibrational calculation of A-type zeolite

Kyoung Tai No, Byung Hee Seo, Je Myung Park, Mu Shik Jhon

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The potential energy functions of Na A-type zeolite are determined subject to the constraints of the crystal structure. Next, the force constants are calculated with these potential functions. Applying the pseudolattice method, the normal mode calculations are carried out, and the IR bands of zeolite A are assigned with the normal modes. The potential functions give reasonable crystal geometries and force constants.

Original languageEnglish
Pages (from-to)6783-6789
Number of pages7
JournalJournal of physical chemistry
Volume92
Issue number23
DOIs
Publication statusPublished - 1988 Jan 1

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physical and Theoretical Chemistry

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