MRD CI STUDY OF THE ELECTRON-AFFINITY OF HO2 AND THE PHOTODETACHMENT ENERGY OF HO-2(-)

被引：5

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：

CHEMICAL PHYSICS | 1989年 / 129卷 / 03期

关键词：

D O I：

10.1016/0301-0104(89)85010-4

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：405 / 415

页数：11

共 37 条

[1] THE EVALUATION OF MOLECULAR ELECTRON-AFFINITIES [J].

BAKER, J ;

NOBES, RH ;

RADOM, L .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) :349-358

[2] ON THE ELECTRON-AFFINITY OF THE OXYGEN ATOM [J].

BAUSCHLICHER, CW ;

LANGHOFF, SR ;

PARTRIDGE, H ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (06) :3407-3410

[3]

BAUSCHLICHER CW, 1981, POLYATOMICS

[4] ELECTRON-AFFINITY OF HO2 AND HOX RADICALS [J].

BENSON, SW ;

NANGIA, PS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (08) :2843-2844

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

BENSON, SW ;

NANGIA, PS .

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

[6] 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

[7] THEORETICAL CHARACTERIZATION OF NEGATIVE-IONS - CALCULATION OF THE ELECTRON-AFFINITIES OF CARBON, OXYGEN, AND FLUORINE [J].

BOTCH, BH ;

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6046-6056

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

BUENKER, RJ ;

PEYERIMH.SD .

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

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

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[10] 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

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