VARIATIONAL BASIS-SET CALCULATIONS OF ACCURATE QUANTUM-MECHANICAL REACTION PROBABILITIES

被引：122

作者：

SCHWENKE, DW

HAUG, K

TRUHLAR, DG

SUN, Y

ZHANG, JZH

KOURI, DJ

机构：

[1] UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455

[2] UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455

[3] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

[4] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1987年 / 91卷 / 24期

关键词：

D O I：

10.1021/j100308a002

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：6080 / 6082

页数：3

共 46 条

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[J]. CHEMICAL PHYSICS LETTERS, 1986, 124 (03) : 256 - 259
[7] QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION
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[8] TEST OF VARIATIONAL TRANSITION-STATE THEORY AND MULTIDIMENSIONAL SEMICLASSICAL TRANSMISSION COEFFICIENT METHODS AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR H+H2/HD, D+H2, AND O+H2/D2/HD, INCLUDING INTRAMOLECULAR AND INTERMOLECULAR KINETIC ISOTOPE EFFECTS
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TRUHLAR, DG
SCHATZ, GC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (11) : 2876 - 2881
[9] ON DISTRIBUTED GAUSSIAN BASES FOR SIMPLE-MODEL MULTIDIMENSIONAL VIBRATIONAL PROBLEMS
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LIGHT, JC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) : 306 - 317
[10] L-2 SOLUTION OF THE QUANTUM-MECHANICAL REACTIVE SCATTERING PROBLEM - THE THRESHOLD ENERGY FOR D + H-2(V=1) -] HD + H
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SHIMA, Y
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ZHANG, J
KOURI, DJ
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (26) : 6757 - 6759

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