MRD-CI GROUND-STATE GEOMETRY AND VERTICAL SPECTRUM OF N-3

被引：37

作者：

PETRONGOLO, C

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1988年 / 175卷

关键词：

D O I：

10.1016/S0022-2860(98)80078-1

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 / 220

页数：6

共 18 条

[1] THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+ [J].

ARCHIBAL.TW ;

SABIN, JR .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1821-&

[2] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].

BUENKER, RJ ;

PEYERIMH.SD .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58

[3]

BUENKER RJ, 1982, CURRENT ASPECTS QUAN, P17

[4]

BUENKER RJ, 1983, NEW HORIZONS QUANTUM, P183

[5]

BUENKER RJ, 1980, FEB P WORKSH QUANT C

[6]

BUENKER RJ, 1985, J MOL STRUC-THEOCHEM, V123, P291

[7] 2700 A BANDS OF N3 MOLECULE [J].

DOUGLAS, AE ;

JONES, WJ .

CANADIAN JOURNAL OF PHYSICS, 1965, 43 (12) :2216-&

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :716-+

[9] VACUUM ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF TRANSIENT SPECIES .15. THE N-3(X2-PI) RADICAL [J].

DYKE, JM ;

JONATHAN, NBH ;

LEWIS, AE ;

MORRIS, A .

MOLECULAR PHYSICS, 1982, 47 (05) :1231-1240

[10]

Herzberg G., 1950, SPECTRA DIATOMIC MOL, V1

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