COMPARISON OF QUASI-CLASSICAL, TRANSITION-STATE THEORY, AND QUANTUM CALCULATIONS OF RATE CONSTANTS AND ACTIVATION-ENERGIES FOR THE COLLINEAR REACTION X+F2-]XF+F (X=MU,H,D,T)

被引：51

作者：

CONNOR, JNL ^{[1
]}

JAKUBETZ, W ^{[1
]}

LAGANA, A ^{[1
]}

机构：

[1] UNIV VIENNA,INST THEORET CHEM & STRAHLENCHEM,A-1090 VIENNA,AUSTRIA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 01期

关键词：

D O I：

10.1021/j100464a013

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：73 / 78

页数：6

共 36 条

[1] MASS-SPECTROMETRIC DETERMINATION OF RATE CONSTANTS FOR H-ATOM REACTIONS WITH CL2 AND F2
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[2] BLAIS NC, 1971, LA4687 LOS AL TECHN
[3] SEMI-NUMERICAL APPROACH TO CONSTRUCTION AND FITTING OF TRIATOMIC POTENTIAL-ENERGY SURFACES
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KUPPERMANN, A
[J]. CHEMICAL PHYSICS LETTERS, 1975, 34 (03) : 523 - 527
[4] BREWER JH, 1975, MUON PHYSICS, V3, pCH7
[5] COHEN N, 1976, HDB CHEM LASERS, pCH2
[6] MOLECULAR-COLLISIONS AND SEMICLASSICAL APPROXIMATION
CONNOR, JNL
[J]. CHEMICAL SOCIETY REVIEWS, 1976, 5 (02) : 125 - 148
[7] ISOTOPE EFFECTS IN REACTION X+F2-]XF+F(X=MU,H,D,T) - QUANTUM-MECHANICAL AND INFORMATION THEORETIC INVESTIGATION
CONNOR, JNL
JAKUBETZ, W
MANZ, J
[J]. CHEMICAL PHYSICS, 1978, 28 (1-2) : 219 - 230
[8] MUONIUM CHEMISTRY - QUANTUM-MECHANICAL CALCULATIONS FOR COLLINEAR REACTION MU+F2(UPSILON=0)-]MUF(UPSILON'LESS-THAN-OR-EQUAL-TO3)+F
CONNOR, JNL
JAKUBETZ, W
MANZ, J
[J]. CHEMICAL PHYSICS LETTERS, 1977, 45 (02) : 265 - 270
[9] F+H2 (NU=0)-]FH (NU'LESS-THAN-OR-EQUAL-TO3)+H REACTION - QUANTUM COLLINEAR REACTION PROBABILITIES ON 3 DIFFERENT POTENTIAL-ENERGY SURFACES
CONNOR, JNL
JAKUBETZ, W
MANZ, J
[J]. MOLECULAR PHYSICS, 1978, 35 (05) : 1301 - 1323
[10] EXACT QUANTUM-MECHANICAL TRANSITION-PROBABILITIES FOR COLLINEAR REACTION - H + F2 (UPSILON=0)-]HF(UPSILON'LESS-THAN-OR-EQUAL-TO 11)+F
CONNOR, JNL
JAKUBETZ, W
MANZ, J
[J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (01) : 75 - 78

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