CONVERGED QUANTUM DYNAMICS CALCULATIONS FOR THE F+H2 REACTION ON THE WELL-STUDIED M5 POTENTIAL-ENERGY SURFACE

被引：46

作者：

YU, CH

SUN, Y

KOURI, DJ

HALVICK, P

TRUHLAR, DG

SCHWENKE, DW

机构：

[1] UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77204 USA

[2] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA

[3] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA

[4] NASA, AMES RES CTR, MOFFETT FIELD, CA 94035 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 12期

关键词：

D O I：

10.1063/1.456197

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：7608 / 7609

页数：2

共 23 条

[1] THEORETICAL-STUDIES OF THE POTENTIAL SURFACE FOR THE F+H-2-]HF+H REACTION [J].

BAUSCHLICHER, CW ;

WALCH, SP ;

LANGHOFF, SR ;

TAYLOR, PR ;

JAFFE, RL .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (03) :1743-1751

[2] AN IMPROVED POTENTIAL-ENERGY SURFACE FOR F+H2-]HF+H AND H+H'F-]HF+H' [J].

BROWN, FB ;

STECKLER, R ;

SCHWENKE, DW ;

TRUHLAR, DG ;

GARRETT, BC .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :188-201

[3] ON DISTRIBUTED GAUSSIAN BASES FOR SIMPLE-MODEL MULTIDIMENSIONAL VIBRATIONAL PROBLEMS [J].

HAMILTON, IP ;

LIGHT, JC .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) :306-317

[4] L-2 SOLUTION OF THE QUANTUM-MECHANICAL REACTIVE SCATTERING PROBLEM - THE THRESHOLD ENERGY FOR D + H-2(V=1) -] HD + H [J].

HAUG, K ;

SCHWENKE, DW ;

SHIMA, Y ;

TRUHLAR, DG ;

ZHANG, J ;

KOURI, DJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (26) :6757-6759

[5] ACCURATE QUANTUM-MECHANICAL REACTION PROBABILITIES FOR THE REACTION O+H2-]OH+H [J].

HAUG, K ;

SCHWENKE, DW ;

TRUHLAR, DG ;

ZHANG, YC ;

ZHANG, JZH ;

KOURI, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (03) :1892-1894

[6]

HAUG K, 1987, SCI ENG CRAY SUPERCO, P427

[7] PREDICTION OF ANGULAR-DISTRIBUTIONS FOR THE F+H2 AND F+D2 REACTIONS [J].

HAYES, EF ;

WALKER, RB .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (09) :5978-5979

[8]

Jianlei Zhang, COMMUNICATION

[9]

LEVINE RD, 1987, MOL REACTION DYNAMIC, P396

[10] EFFECT OF ORBITAL AND ROTATIONAL ANGULAR-MOMENTUM AVERAGING ON BRANCHING RATIOS OF DYNAMICAL RESONANCES IN THE REACTION H+P-H2-]OMICRON-H2+H [J].

MLADENOVIC, M ;

ZHAO, MS ;

TRUHLAR, DG ;

SCHWENKE, DW ;

SUN, Y ;

KOURI, DJ .

CHEMICAL PHYSICS LETTERS, 1988, 146 (05) :358-363

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