MOLECULAR PSEUDOPOTENTIAL CALCULATIONS ON TRANSITION-METAL COMPLEXES - NI(CO)4, PD(CO)4, AND PT(CO)4

被引：30

作者：

OSMAN, R ^{[1
]}

EWIG, CS ^{[1
]}

VANWAZER, JR ^{[1
]}

机构：

[1] VANDERBILT UNIV,DEPT CHEM,NASHVILLE,TN 37235

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 39卷 / 01期

关键词：

D O I：

10.1016/0009-2614(76)85188-3

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：27 / 30

页数：4

共 15 条

[1] The molecular structure of nickel carbonyl [J].

Brockway, LO ;

Cross, PC .

JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (12) :828-833

[2] ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD [J].

CHANG, TC ;

HABITZ, P ;

PITTEL, B ;

SCHWARZ, WHE .

THEORETICA CHIMICA ACTA, 1974, 34 (04) :263-275

[3] THE RAMAN SPECTRUM AND STRUCTURE OF NICKEL CARBONYL [J].

CRAWFORD, BL ;

HORWITZ, W .

JOURNAL OF CHEMICAL PHYSICS, 1948, 16 (02) :147-150

[4]

DEMUYNCK J, 1972, THEORET CHIM ACTA, V28, P242

[5]

EWIG CS, TO BE PUBLISHED

[6]

Green J. C., 1970, CHEM COMMUN, P1121

[7]

Hillier I. H., 1970, CHEM COMMUN, P1316

[8] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF TRANSITION-METAL COMPLEXES .1. ELECTRONIC-STRUCTURE OF NICKEL TETRACARBONYL AND CHROMIUM HEXACARBONYL [J].

HILLIER, IH ;

SAUNDERS, VR .

MOLECULAR PHYSICS, 1971, 22 (06) :1025-&

[9] FORCE CONSTANTS OF NICKEL CARBONYL FROM VIBRATIONAL SPECTRA OF ISOTOPIC SPECIES [J].

JONES, LH ;

MCDOWELL, RS ;

GOLDBLATT, M .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (06) :2663-+

[10]

KUNDIG EP, 1973, J AM CHEM SOC, V95, P7234

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