ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON THE ACIDIC CHARACTERISTICS OF ISOMORPHOUSLY SUBSTITUTED ZEOLITES

被引：52

作者：

OMALLEY, PJ

DWYER, J

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 143卷 / 01期

关键词：

D O I：

10.1016/0009-2614(88)87018-0

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：97 / 100

页数：4

共 14 条

[1]

BARRER RM, 1982, HYDROTHERMAL CHEM ZE, P287

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[3] ISOMORPHOUS SUBSTITUTION IN ZEOLITE FRAMEWORKS .1. ACIDITY OF SURFACE HYDROXYLS IN [B]-ZSM-5, [FE]-ZSM-5, [GA]-ZSM-5, AND [AL]-ZSM-5 [J].

CHU, CTW ;

CHANG, CD .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (09) :1569-1571

[4]

Flanigen E., 1976, ZEOLITE CHEM CATALYS

[5] NON-EMPIRICAL QUANTUM-MECHANICAL CALCULATIONS ON PENTASIL-TYPE ZEOLITES [J].

FRIPIAT, JG ;

BERGERANDRE, F ;

ANDRE, JM ;

DEROUANE, EG .

ZEOLITES, 1983, 3 (04) :306-310

[6]

GEERLINGS P, 1984, J PHYS CHEM-US, V88, P5572

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].

GORDON, MS ;

BINKLEY, JS ;

POPLE, JA ;

PIETRO, WJ ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803

[8]

HOBBS KD, 1986, COMPUT CHEM, V7, P359

[9] ACID ZEOLITES - AN ATTEMPT TO DEVELOP UNIFYING CONCEPTS (EMMETT,P.H. AWARD ADDRESS, 1981) [J].

JACOBS, PA .

CATALYSIS REVIEWS-SCIENCE AND ENGINEERING, 1982, 24 (03) :415-440

[10] BRIDGING AND TERMINAL HYDROXYLS - A STRUCTURAL CHEMICAL AND QUANTUM CHEMICAL DISCUSSION [J].

MORTIER, WJ ;

SAUER, J ;

LERCHER, JA ;

NOLLER, H .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (05) :905-912

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