ABINITIO POTENTIAL SURFACE FOR OZONE DECOMPOSITION

被引：21

作者：

WRIGHT, JS ^{[1
]}

SHIH, SK ^{[1
]}

BUENKER, RJ ^{[1
]}

机构：

[1] GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 75卷 / 03期

关键词：

D O I：

10.1016/0009-2614(80)80567-7

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：513 / 518

页数：6

共 30 条

[1] MECHANISM OF THE GAS PHASE, THERMAL DECOMPOSITION OF OZONE [J].

BENSON, SW ;

AXWORTHY, AE .

JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (06) :1718-1726

[2] SEMI-NUMERICAL APPROACH TO CONSTRUCTION AND FITTING OF TRIATOMIC POTENTIAL-ENERGY SURFACES [J].

BOWMAN, JM ;

KUPPERMANN, A .

CHEMICAL PHYSICS LETTERS, 1975, 34 (03) :523-527

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

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[4] 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

[5] AB-INITIO VIBRATIONAL ANALYSIS OF SCHUMANN-RUNGE BANDS AND NEIGHBORING ABSORPTION REGION OF MOLECULAR-OXYGEN [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

PERIC, M .

CHEMICAL PHYSICS LETTERS, 1976, 42 (02) :383-389

[6] AB-INITIO STUDY OF MIXING OF VALENCE AND RYDBERG STATES IN O2 - CI POTENTIAL CURVES FOR SIGMA-3(U)-, DELTA-3(U) AND PI-3(U) STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1975, 34 (02) :225-231

[7]

BURTON PG, 1977, INT J QUANTUM CHEM Q, V11, P207

[8] IMPROVED POTENTIAL FUNCTIONS FOR BENT AB2 MOLECULES - WATER AND OZONE [J].

CARNEY, GD ;

CURTISS, LA ;

LANGHOFF, SR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (03) :371-381

[9] EXACT QUANTUM TRANSITION-PROBABILITIES BY STATE PATH SUM METHOD - COLLINEAR F+H2 REACTION [J].

CONNOR, JNL ;

JAKUBETZ, W ;

MANZ, J .

MOLECULAR PHYSICS, 1975, 29 (02) :347-355

[10]

Davidson E., 1974, WORLD QUANTUM CHEM, P17

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