QUANTUM EFFECTS IN THE F+H-2-]HF+H REACTION - ACCURATE 3D CALCULATIONS WITH A REALISTIC POTENTIAL-ENERGY SURFACE

被引：66

作者：

KRESS, JD

BACIC, Z

PARKER, GA

PACK, RT

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1989年 / 157卷 / 06期

关键词：

D O I：

10.1016/S0009-2614(89)87396-8

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：484 / 490

页数：7

共 27 条

[1]

BACIC Z, 1987, J CHEM PHYS, V86, P3065

[2] HIGHLY EXCITED VIBRATIONAL LEVELS OF FLOPPY TRIATOMIC-MOLECULES - A DISCRETE VARIABLE REPRESENTATION - DISTRIBUTED GAUSSIAN-BASIS APPROACH [J].

BACIC, Z ;

LIGHT, JC .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4594-4604

[3] LOCALIZED REPRESENTATIONS FOR LARGE-AMPLITUDE MOLECULAR VIBRATIONS [J].

BACIC, Z ;

WHITNELL, RM ;

BROWN, D ;

LIGHT, JC .

COMPUTER PHYSICS COMMUNICATIONS, 1988, 51 (1-2) :35-47

[4]

BACIC Z, 1988, J CHEM PHYS, V89, P947, DOI 10.1063/1.455163

[5]

BACIC Z, UNPUB

[6] 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

[7] ANGULAR-MOMENTUM DEPENDENT BARRIERS - POSSIBLE KEY TO UNDERSTANDING ANGULAR-DISTRIBUTIONS FOR THE REACTIONS OF FLUORINE WITH H-2, D-2, AND HD [J].

HAYES, EF ;

WALKER, RB .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (09) :5598-5606

[8] 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

[9] RENORMALIZED NUMEROV METHOD APPLIED TO CALCULATING BOUND-STATES OF COUPLED-CHANNEL SCHROEDINGER EQUATION [J].

JOHNSON, BR .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4678-4688

[10]

JOHNSON BR, 1977, J CHEM PHYS, V67, P4086, DOI 10.1063/1.435384

← 1 2 3 →