A COMPARISON OF 2 CLASSICAL TRAJECTORY SURFACE HOPPING METHODS FOR NA(2P)+H2,D2 QUENCHING

被引：33

作者：

EAKER, CW

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 08期

关键词：

D O I：

10.1063/1.452866

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：4532 / 4539

页数：8

共 19 条

[1] ENERGY-DEPENDENT CROSS-SECTIONS FOR QUENCHING OF NA(3PP-2) BY SEVERAL GASES [J].

BARKER, JR ;

WESTON, RE .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (04) :1427-1442

[2] IMPROVED PARAMETRIZATION OF DIATOMICS-IN-MOLECULES POTENTIAL-ENERGY SURFACE FOR NA(3P2P)+H-2-]NA(3S2S)+H-2 [J].

BLAIS, NC ;

TRUHLAR, DG ;

GARRETT, BC .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :2956-2961

[3] TRAJECTORY-SURFACE-HOPPING STUDY OF NA(3P2P) +H2-]NA(3S2S)+H2(V',J',THETA) [J].

BLAIS, NC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1334-1342

[4]

BRADSLEY JN, 1979, PHYS REV A, V20, P1398

[5] OPTIMIZATION OF DIATOMIC STATE MIXING IN DIATOMICS IN MOLECULES THEORY - CHN POTENTIAL-ENERGY SURFACES [J].

EAKER, CW ;

PARR, CA .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1322-1332

[6]

EAKER CW, IN PRESS

[7] ON THE MULTIDIMENSIONAL SURFACE INTERSECTION PROBLEM AND CLASSICAL TRAJECTORY SURFACE HOPPING [J].

MEAD, CA ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (02) :1055-1056

[8]

MELUIS CJ, 1979, J PHYS CHEM, V83, P1221

[9]

NUMLICH RW, 1975, J PHYS CHEM, V79, P2745

[10] INTERACTION ENERGIES FOR LOW-LYING ELECTRONIC STATES OF NAH AND NAH- - SCATTERING OF H- BY ALKALI ATOMS [J].

OLSON, RE ;

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (06) :2817-2824

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