ACCURATE QUANTUM REACTION PROBABILITIES FOR THE COLLINEAR H+H-2(N LESS-THAN-OR-EQUAL-TO 7)-]H-2(M LESS-THAN-OR-EQUAL-TO 7)+H CHEMICAL-REACTION USING THE LIU-SIEGBAHN-TRUHLAR-HOROWITZ POTENTIAL-ENERGY SURFACE

被引：27

作者：

BONDI, DK ^{[1
]}

CONNOR, JNL ^{[1
]}

机构：

[1] UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 09期

关键词：

D O I：

10.1063/1.448834

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：4383 / 4384

页数：2

共 17 条

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[2] TEST OF VARIATIONAL TRANSITION-STATE THEORY WITH A LARGE-CURVATURE TUNNELING APPROXIMATION AGAINST ACCURATE QUANTAL REACTION PROBABILITIES AND RATE COEFFICIENTS FOR 3 COLLINEAR REACTIONS WITH LARGE REACTION-PATH CURVATURE - CL+HCL,CL+DCL, AND CL+MUCL
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[3] A NEW NUMERICAL-METHOD FOR COLLINEAR QUANTUM REACTIVE SCATTERING USING DELVES COORDINATES - APPLICATION TO THE H+H-2(NLESS-THAN-OR-EQUAL-TO7)-]H-2(MLESS-THAN-OR-EQUAL-TO7)+H CHEMICAL-REACTION
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[4] EXACT QUANTUM AND VIBRATIONALLY ADIABATIC QUANTUM, SEMICLASSICAL AND QUASICLASSICAL STUDY OF THE COLLINEAR REACTIONS CL+MUCL, CL+HCL, CL+DCL
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[5] KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS
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[6] WKB APPROXIMATION FOR THE REACTION-PATH HAMILTONIAN - APPLICATION TO VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC EXCITED-STATE BARRIER HEIGHTS, AND RESONANCE CALCULATIONS
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[7] COLLINEAR TRIATOMIC REACTIONS DESCRIBED BY POLAR DELVES COORDINATES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) : 5040 - 5044
[8] HYPERSPHERICAL COORDINATES IN QUANTUM-MECHANICAL COLLINEAR REACTIVE SCATTERING
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[J]. CHEMICAL PHYSICS LETTERS, 1980, 74 (02) : 257 - 262
[9] HYPERSPHERICAL DESCRIPTION OF COLLINEAR REACTIVE SCATTERING
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[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1982, 15 (13) : L455 - L461
[10] AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3
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