AN AG-ATOM IN THE 6-6 SUBUNIT OF A ZEOLITE - MODEL-CALCULATIONS

被引：17

作者：

CALZAFERRI, G

FORSS, L

机构：

来源：

HELVETICA CHIMICA ACTA | 1986年 / 69卷 / 04期

关键词：

D O I：

10.1002/hlca.19860690414

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：873 / 880

页数：8

共 44 条

[1]

ALDRIDGE LP, 1976, J INORG NUCL CHEM, V36, P2097

[2] COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS [J].

AMMETER, JH ;

BURGI, HB ;

THIBEAULT, JC ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) :3686-3692

[3] STRUCTURES AND ELECTRONIC PROPERTIES OF COPPER CLUSTERS AND BULK - COMMENTS ON MULLIKEN-WALSH DIAGRAMS AND ON CRITICISMS OF EXTENDED HUCKEL PROCEDURE [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (04) :1744-1751

[4] DESCRIPTION OF DIATOMIC-MOLECULES USING ONE ELECTRON CONFIGURATION ENERGIES WITH 2-BODY INTERACTIONS [J].

ANDERSON, AB ;

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4271-4273

[5]

Ballhausen C.J., 1965, MOL ORBITAL THEORY

[6] BE SEGREGATION IN ELECTRON-IRRADIATED DILUTE CU-BE ALLOYS [J].

BARTELS, A ;

DWORSCHAK, F ;

MEURER, HP ;

ABROMEIT, C ;

WOLLENBERGER, H .

JOURNAL OF NUCLEAR MATERIALS, 1979, 83 (01) :24-34

[7] APPROXIMATE ANALYTICAL ORBITAL FUNCTIONS FOR 2ND AND 3RD-ROW TRANSITION METALS [J].

BASCH, H ;

GRAY, HB .

THEORETICA CHIMICA ACTA, 1966, 4 (04) :367-&

[8] MOLECULAR ORBITAL THEORY FOR OCTAHEDRAL AND TETRAHEDRAL METAL COMPLEXES [J].

BASCH, H ;

VISTE, A ;

GRAY, HB .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :10-+

[9] QUANTUM-CHEMICAL STUDY OF THE PHYSICAL CHARACTERISTICS OF AL3+, ALOH2+, AND AL(OH)2+ ZEOLITES [J].

BERAN, S ;

JIRU, P ;

WICHTERLOVA, B .

JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (13) :1951-1956

[10] QUANTUM CHEMICAL STUDY OF THE ELECTRONIC-STRUCTURE OF NAX AND NAY ZEOLITES [J].

BERAN, S ;

DUBSKY, J .

CHEMICAL PHYSICS LETTERS, 1980, 71 (02) :300-302

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