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

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[8] MUONIUM CHEMISTRY - QUANTUM-MECHANICAL CALCULATIONS FOR COLLINEAR REACTION MU+F2(UPSILON=0)-]MUF(UPSILON'LESS-THAN-OR-EQUAL-TO3)+F [J].

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[9] F+H2 (NU=0)-]FH (NU'LESS-THAN-OR-EQUAL-TO3)+H REACTION - QUANTUM COLLINEAR REACTION PROBABILITIES ON 3 DIFFERENT POTENTIAL-ENERGY SURFACES [J].

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MANZ, 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 [J].

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MANZ, J .

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