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

[21] L2 AMPLITUDE DENSITY METHOD FOR MULTICHANNEL INELASTIC AND REARRANGEMENT COLLISIONS [J].

ZHANG, JZH ;

KOURI, DJ ;

HAUG, K ;

SCHWENKE, DW ;

SHIMA, Y ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) :2492-2512

[22] QUANTUM-MECHANICAL CALCULATIONS OF VIBRATIONAL POPULATION-INVERSION IN CHEMICAL-REACTIONS - NUMERICALLY EXACT L2-AMPLITUDE-DENSITY STUDY OF THE H2BR REACTIVE SYSTEM [J].

ZHANG, YC ;

ZHANG, JZH ;

KOURI, DJ ;

HAUG, K ;

SCHWENKE, DW ;

TRUHLAR, DG .

PHYSICAL REVIEW LETTERS, 1988, 60 (23) :2367-2370

[23] COMPARISON OF CLASSICAL SIMULATIONS OF THE H+H-2 REACTION TO ACCURATE QUANTUM-MECHANICAL STATE-TO-STATE PARTIAL CROSS-SECTIONS WITH TOTAL ANGULAR MOMENTA J = 0-4 AND TO EXPERIMENT FOR ALL J [J].

ZHAO, MS ;

MLADENOVIC, M ;

TRUHLAR, DG ;

SCHWENKE, DW ;

SUN, Y ;

KOURI, DJ ;

BLAIS, NC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (03) :852-859

← 1 2 3 →