IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION

被引:193
作者
COUTIERE, M
VEILLARD, A
DEMUYNCK, J
机构
来源
THEORETICA CHIMICA ACTA | 1972年 / 27卷 / 04期
关键词
D O I
10.1007/BF00868854
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 ;
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页码:281 / &
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共 20 条
[1]   SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .4. SOME METALLOCENES [J].
ARMSTRONG, AT ;
CARROLL, DG ;
MCGLYNN, SP .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03) :1104-+
[2]  
BASCH H, 1970, SIGMA MOLECULAR ORBI, P449
[3]   ON MOLECULAR STRUCTURE OF FERROCENE FE(C5H5)2 [J].
BOHN, RK ;
HAALAND, A .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1966, 5 (05) :470-+
[4]  
DAHL JP, 1961, MATH FYS MEDDR, V33, P5
[5]   AB-INITIO CALCULATION OF ELECTRONIC STRUCTURE OF NI(CN)24- ION [J].
DEMUYNCK, J ;
VEILLARD, A ;
VINOT, G .
CHEMICAL PHYSICS LETTERS, 1971, 10 (05) :522-&
[6]  
DEMUYNCK J, TO BE PUBLISHED
[7]   ZUR METALL-RING-BINDUNG IN SANDWICH-KOMPLEXEN [J].
FISCHER, RD .
THEORETICA CHIMICA ACTA, 1963, 1 (04) :418-431
[8]  
HILLIER IH, 1969, DISCUSS FARADAY SOC, P27, DOI 10.1039/df9694700027
[9]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&