AB-INITIO CALCULATIONS OF TRANSITION-METAL COMPLEXES .5. ELECTRONIC-STRUCTURE AND HE(I) PHOTOELECTRON-SPECTRA OF FE(CO)2(NO)2, CO(CO)3NO AND NI(CO)4

被引：109

作者：

HILLIER, IH

GUEST, MF

HIGGINSON, BR

LLOYD, DR

机构：

[1] UNIV MANCHESTER, CHEM DEPT, MANCHESTER M13 9PL, ENGLAND

[2] ATLAS COMP LAB, CHILTON, DIDCOT, BERKSHIRE, ENGLAND

[3] UNIV BIRMINGHAM, CHEM DEPT, POB 363, BIRMINGHAM B15 2TT, ENGLAND

来源：

MOLECULAR PHYSICS | 1974年 / 27卷 / 01期

关键词：

D O I：

10.1080/00268977400100181

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：215 / 223

页数：9

共 9 条

[1] ALL-VALENCE ELECTRON CNDO CALCULATIONS ON TRANSITION-METAL COMPLEXES [J].

CLACK, DW ;

YANDLE, JR ;

HUSH, NS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (08) :3503-+

[2] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION [J].

COUTIERE, M ;

VEILLARD, A ;

DEMUYNCK, J .

THEORETICA CHIMICA ACTA, 1972, 27 (04) :281-&

[3]

HIGGINSON BR, IN PRESS

[4] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF TRANSITION-METAL COMPLEXES .2. ELECTRONIC-STRUCTURE OF TETRACYANONICKELATE ANION AND NICKEL CYCLOPENTADIENYL NITROSYL [J].

HILLIER, IH ;

SAUNDERS, VR .

MOLECULAR PHYSICS, 1972, 23 (03) :449-&

[5] 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-&

[6] CALIBRATION OF A HE(I) PHOTOELECTRON SPECTROMETER [J].

LLOYD, DR .

JOURNAL OF PHYSICS E-SCIENTIFIC INSTRUMENTS, 1970, 3 (08) :629-&

[7] PHOTOIONIZATION STUDIES OF METAL CARBONYLS .I. IONIZATION POTENTIALS AND BONDING IN GROUP VI METAL HEXACARBONYLS AND IN MONONUCLEAR CARBONYLS AND NITROSYL CARBONYLS OF IRON, COBALT, AND NICKEL [J].

LLOYD, DR ;

SCHLAG, EW .

INORGANIC CHEMISTRY, 1969, 8 (12) :2544-&

[8] APPROXIMATE RADIAL FUNCTIONS FOR FIRST-ROW TRANSITION-METAL ATOMS AND IONS .1. INNER-SHELL, 3D AND 4S ATOMIC ORBITALS [J].

RICHARDSON, JW ;

EDGELL, WF ;

POWELL, RR ;

NIEUWPOORT, WC .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (04) :1057-&

[9]

ROHMER MM, 1973, CHEM COMMUN, P250

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