Lattice vibrational calculation of A-type zeolite

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

doi:10.1021/j100334a057

Lattice vibrational calculation of A-type zeolite

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

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	6783-6789
Number of pages	7
Journal	Journal of physical chemistry
Volume	92
Issue number	23
DOIs	https://doi.org/10.1021/j100334a057
Publication status	Published - 1988

All Science Journal Classification (ASJC) codes

Engineering(all)
Physical and Theoretical Chemistry

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10.1021/j100334a057

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@article{c4fe4e09c586444ea8abc7b31284a7d6,

title = "Lattice vibrational calculation of A-type zeolite",

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.",

author = "No, {Kyoung Tai} and Seo, {Byung Hee} and Park, {Je Myung} and Jhon, {Mu Shik}",

year = "1988",

doi = "10.1021/j100334a057",

language = "English",

volume = "92",

pages = "6783--6789",

journal = "Journal of Physical Chemistry",

issn = "0022-3654",

publisher = "American Chemical Society",

number = "23",

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TY - JOUR

T1 - Lattice vibrational calculation of A-type zeolite

AU - No, Kyoung Tai

AU - Seo, Byung Hee

AU - Park, Je Myung

AU - Jhon, Mu Shik

PY - 1988

Y1 - 1988

N2 - 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.

AB - 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.

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UR - http://www.scopus.com/inward/citedby.url?scp=0024107403&partnerID=8YFLogxK

U2 - 10.1021/j100334a057

DO - 10.1021/j100334a057

M3 - Article

AN - SCOPUS:0024107403

SN - 0022-3654

VL - 92

SP - 6783

EP - 6789

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 23

ER -

Lattice vibrational calculation of A-type zeolite

Abstract

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