CLASSICAL TRAJECTORY CALCULATIONS FOR THE REACTION N++H-2-]NH++H

被引：13

作者：

GITTINS, MA ^{[1
]}

HIRST, DM ^{[1
]}

机构：

[1] UNIV WARWICK,DEPT CHEM & MOLEC SCI,COVENTRY CV4 7AL,WARWICKSHIRE,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 65卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)80281-X

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：

Classical trajectory calculations are presented for the reaction N+ + H2 → NH+ + H using a single potential surface. At low initial relative energies symmetric product distributions are obtained and complex trajectories predominate. At higher energies direct reaction gives forward peaking. © 1979.

引用

页码：507 / 510

页数：4

共 16 条

[1] POTENTIAL-ENERGY SURFACES FOR ION-MOLECULE REACTIONS - INTERSECTION OF 3A2 AND 2B1 SURFACES OF NH2+ [J].

BENDER, CF ;

MEADOWS, JH ;

SCHAEFER, HF .

FARADAY DISCUSSIONS, 1977, 62 :59-66

[2] NONADIABATIC MOLECULAR COLLISIONS - CHARGE-EXCHANGE AND CHEMICAL-REACTION IN AR+ +H2 SYSTEM [J].

CHAPMAN, S ;

PRESTON, RK .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) :650-659

[3] DYNAMICS OF REACTION OF N+ WITH H2 .2. REACTIVE SCATTERING AT RELATIVE ENERGIES BELOW 3 EV [J].

FAIR, JA ;

MAHAN, BH .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (02) :515-519

[4] DYNAMICS OF REACTION OF N+ WITH H-2 .3. [J].

FARRAR, JM ;

HANSEN, SG ;

MAHAN, BH .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (07) :2908-2910

[5] DYNAMICS OF REACTION OF N+ WITH H2 [J].

GISLASON, EA ;

MAHAN, BH ;

TSAO, CW ;

WERNER, AS .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (09) :3897-&

[6] AB-INITIO POTENTIAL-ENERGY SURFACE FOR REACTION N+ +H2-]NH+ +H [J].

GITTINS, MA ;

HIRST, DM .

CHEMICAL PHYSICS LETTERS, 1975, 35 (04) :534-536

[7] ABINITIO POTENTIAL SURFACE FOR REACTION N+ + H-2 -] NH+ + H [J].

GITTINS, MA ;

HIRST, DM ;

GUEST, MF .

FARADAY DISCUSSIONS, 1977, 62 :67-76

[8] ANALYTIC FIT TO X2A-' POTENTIAL SURFACE OF CH+2 [J].

HERBST, E .

CHEMICAL PHYSICS LETTERS, 1977, 47 (03) :517-520

[9] ABINITIO POTENTIAL-ENERGY SURFACES FOR TRIPLET-STATES OF NH2+ [J].

HIRST, DM .

MOLECULAR PHYSICS, 1978, 35 (06) :1559-1568

[10] EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].

KARPLUS, M ;

SHARMA, RD .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&

← 1 2 →