MULTIREFERENCE SINGLES AND DOUBLES CONFIGURATION-INTERACTION STUDY OF THE PHOTOELECTRON-SPECTRUM OF HO2-

被引：7

作者：

VAZQUEZ, GJ

BUENKER, RJ

PEYERIMHOFF, SD

机构：

[1] BERG UNIV GH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER

[2] UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 12期

关键词：

D O I：

10.1063/1.456252

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：7229 / 7238

页数：10

共 23 条

[1]

BASH H, 1982, CHEM PHYS LETT, V93, P51

[2] SOME UNRESOLVED PROBLEMS IN OXIDATION AND COMBUSTION [J].

BENSON, SW ;

NANGIA, PS .

ACCOUNTS OF CHEMICAL RESEARCH, 1979, 12 (07) :223-228

[3] EXPERIMENTAL-MEASUREMENT OF THE ELECTRON-AFFINITY OF THE HYDROPEROXY RADICAL [J].

BIERBAUM, VM ;

SCHMITT, RJ ;

DEPUY, CH ;

MEAD, RD ;

SCHULZ, PA ;

LINEBERGER, WC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (20) :6262-6263

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

BUENKER, RJ ;

PEYERIMH.SD .

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

[5] ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228

[6] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[7]

BUENKER RJ, 1982, STUDIES PHYSICAL THE, V21, P17

[8]

BUENKER RJ, 1980, FEB P WORKSH QUANT C

[9]

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

[10] MOLECULAR-STRUCTURE OF THE HYDROPEROXYL ANION (HO2-) [J].

COHEN, D ;

BASCH, H ;

OSMAN, R .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5684-5686

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