GEOMETRY OF LIO2 RADICAL

被引：23

作者：

ONEIL, SV

SCHAEFER, HF

BENDER, CF

机构：

[1] UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

[2] UNIV CALIF,LAWRENCE LIVERMORE LAB,DAVIS,CA

[3] UNIV CALIF,LIVERMORE,CA 94550

[4] UNIV CALIF,DEPT APPL SCI,DAVIS,CA

[5] UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 07期

关键词：

D O I：

10.1063/1.1680526

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：3608 / 3611

页数：4

共 24 条

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[3] MIXED-BASIS SCHEME FOR RAPID COMPUTATION OF MOLECULAR ELECTRONIC-ENERGY IN SCF-LCAO-(STO)-MO FORMALISM, AND ITS APPLICATION TO LITHIUM SUPEROXIDE MOLECULE [J].

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TRINDLE, C .

JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (21) :2995-+

[4] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .18. INTERACTION BETWEEN A LITHIUM ATOM AND A CYANO GROUP AS AN EXAMPLE OF A POLYTOPIC BOND [J].

CLEMENTI, E ;

KISTENMACHER, H ;

POPKIE, H .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (06) :2460-2466

[5] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[6]

Gaydon A. G., 1953, DISSOCIATION ENERGIE

[7] NONEMPIRICAL LCAO MO SCF AND CI STUDIES OF LOW LYING ELECTRONIC STATE OF HOO RADICAL [J].

GOLE, JL ;

HAYES, EF .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (01) :360-&

[8] RAMAN AND INFRARED-SPECTRA OF LIO2 IN OXYGEN MATRICES [J].

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ANDREWS, L .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (07) :3398-&

[9]

HERSCHBACH DR, 1971, P C POTENTIAL ENERGY

[10]

HERZBERG G, 1966, ELECTRONIC SPECTRA P

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