Lattice vibrational calculation of A-type zeolite

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

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)


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
Issue number23
Publication statusPublished - 1988

All Science Journal Classification (ASJC) codes

  • General Engineering
  • Physical and Theoretical Chemistry


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