QUANTUM CHEMICAL STUDY OF THE ELECTRONIC-STRUCTURE OF NAX AND NAY ZEOLITES

被引：22

作者：

BERAN, S

DUBSKY, J

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 71卷 / 02期

关键词：

D O I：

10.1016/0009-2614(80)80169-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：300 / 302

页数：3

共 13 条

[1]

[Anonymous], 1965, CONFORMATIONAL ANAL

[2] LOCATION OF SUPERCAGE SODIUM IONS AND WATER-MOLECULES IN HYDRATED NAX ZEOLITE [J].

BEAGLEY, B ;

DWYER, J ;

IBRAHIM, TK .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1978, (12) :493-494

[3] QUANTUM CHEMICAL STUDY OF THE ELECTRONIC-STRUCTURE OF NA-X AND NA-Y ZEOLITES [J].

BERAN, S ;

DUBSKY, J .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (19) :2538-2544

[4] VAN DER WAALS VOLUMES + RADII [J].

BONDI, A .

JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) :441-+

[5]

Breck D. W., 1974, ZEOLITE MOL SIEVES

[6] QUANTUM CHEMICAL CALCULATIONS OF THE PHYSICAL CHARACTERISTICS OF THE HYDROXYL-GROUPS OF ZEOLITES [J].

DUBSKY, J ;

BERAN, S ;

BOSACEK, V .

JOURNAL OF MOLECULAR CATALYSIS, 1979, 6 (05) :321-326

[7] CRYSTAL STRUCTURES OF HYDRATED AND DEHYDRATED SYNTHETIC ZEOLITES WITH FAUJASITE ALUMINOSILICATE FRAMEWORKS .I. DEHYDRATED SODIUM POTASSIUM AND SILVER FORMS [J].

EULENBERGER, GR ;

SHOEMAKER, DP ;

KEIL, JG .

JOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (06) :1812-+

[8] CATION LOCATION IN HYDRATED NAY ZEOLITES [J].

MARTI, J ;

SORIA, J ;

CANO, FH .

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1977, 60 (01) :82-86

[9] CLUSTER MODEL CALCULATIONS OF CHEMISORPTION AND ELEMENTARY ACTS OF CATALYTIC REACTIONS .1. ISOTOPIC SUBSTITUTION OF HYDROGEN-ATOMS OF SURFACE OH GROUPS OF SILICA-GEL [J].

MIKHEIKIN, ID ;

ABRONIN, IA ;

ZHIDOMIROV, GM ;

KAZANSKY, VB .

JOURNAL OF MOLECULAR CATALYSIS, 1978, 3 (06) :435-442

[10] CNDO STUDY OF THE ELECTRONIC-STRUCTURE OF FAUJASITE TYPE 6-RINGS AS INFLUENCED BY THE PLACEMENT OF MAGNESIUM AND BY THE ISOMORPHOUS SUBSTITUTION OF ALUMINUM FOR SILICON [J].

MORTIER, WJ ;

GEERLINGS, P ;

VANALSENOY, C ;

FIGEYS, HP .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (07) :855-861

← 1 2 →