ON THE BONDING IN FE2(CO)9

被引：52

作者：

BAUSCHLICHER, CW

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 84卷 / 02期

关键词：

D O I：

10.1063/1.450532

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：872 / 875

页数：4

共 14 条

[1] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J].

ALMLOF, J ;

FAEGRI, K ;

KORSELL, K .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :385-399

[2] THE METAL-CARBONYL BOND IN NI(CO)4 AND FE(CO)5 - A CLEAR-CUT ANALYSIS [J].

BAUSCHLICHER, CW ;

BAGUS, PS .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12) :5889-5898

[3]

BAUSCHLICHER CW, UNPUB

[4]

Cotton F. A., 1998, ADV INORG CHEM, V6

[5]

COTTON FA, 1974, J CHEM SOC DA, V8, P800

[6] PI-BONDED N-2 ON FE(111) - THE PRECURSOR FOR DISSOCIATION [J].

GRUNZE, M ;

GOLZE, M ;

HIRSCHWALD, W ;

FREUND, HJ ;

PULM, H ;

SEIP, U ;

TSAI, MC ;

ERTL, G ;

KUPPERS, J .

PHYSICAL REVIEW LETTERS, 1984, 53 (08) :850-853

[7] GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J].

HAY, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4377-4384

[8]

Heijser W., 1980, FARADAY DISCUSS, V14, P211

[9] TRIPLE-DECKER SANDWICHES [J].

LAUHER, JW ;

ELIAN, M ;

SUMMERVILLE, RH ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) :3219-3224

[10]

LUTHI HP, 1985, J PHYS CHEM-US, V89, P2156

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