CLASSICAL TRAJECTORY CALCULATIONS FOR THE D+H-2(V=0,J=0-3)-]HD(V',J')+H REACTION - DIFFERENTIAL AND STATE-TO-STATE CROSS-SECTIONS IN THE 0.35-1.10 EV COLLISION ENERGY-RANGE

被引：9

作者：

AOIZ, FJ

CANDELA, V

HERRERO, VJ

RABANOS, VS

机构：

[1] UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN

[2] CSIC,INST ESTRUCT MAT,E-28006 MADRID,SPAIN

[3] UNIV POLITECN MADRID,ESCUELA TECN SUPER INGN MONTES,DEPT QUIM GEN & BIOQUIM,E-28040 MADRID,SPAIN

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 03期

关键词：

D O I：

10.1016/0009-2614(90)85195-I

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：

Differential and total state-to-state cross sections for the D + H2 (v=0, j=0-3) → HD (v′, j′) + H reaction in the 0.35-1.10 eV collision energy range, have been calculated on the LSTH surface using the QCT method. The results are commented on and compared to recent quantum mechanical calculations and to experimental measurements. © 1990.

引用

页码：243 / 252

页数：10

共 58 条

[1] QUANTUM-MECHANICAL STUDY OF THE D+H2-]HD+H REACTION
ABUSALBI, N
KOURI, DJ
SHIMA, Y
BAER, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (06) : 2650 - 2661
[2] EFFECT OF ROTATION ON THE REACTIVITY OF THE D+H2(V=1)-]DH+H SYSTEM AT TRANSLATIONAL ENERGIES 0.25, 0.35 AND 0.45 EV
AOIZ, FJ
HERRERO, VJ
SAEZ, V
[J]. CHEMICAL PHYSICS LETTERS, 1989, 161 (03) : 270 - 276
[3] BAER M, 1985, THEORY CHEM REACTION, V2
[4] Baer M., 1985, THEORY CHEM REACTION, V3
[5] THE FINAL-STATE AND VELOCITY DISTRIBUTION OF THE REACTION D+H2-]HD+H AS A FUNCTION OF SCATTERING ANGLE
BLAIS, NC
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (09) : 5457 - 5464
[6] QUANTUM-MECHANICAL DYNAMICS AND QUASI-CLASSICAL TRAJECTORIES FOR COMPARISON TO STIMULATED RAMAN PUMPING MEASUREMENTS OF THE HIGH-ENERGY STATE-TO-STATE REACTION DYNAMICS OF D+H2(V=J=1)-]HD(V'=1,J')+H
BLAIS, NC
ZHAO, MS
TRUHLAR, DG
SCHWENKE, DW
KOURI, DJ
[J]. CHEMICAL PHYSICS LETTERS, 1990, 166 (01) : 11 - 19
[7] COMPARISON OF QUASICLASSICAL TRAJECTORY CALCULATIONS TO ACCURATE QUANTUM-MECHANICS FOR STATE-TO-STATE PARTIAL CROSS-SECTIONS AT LOW TOTAL ANGULAR-MOMENTUM FOR THE REACTION D+H2-]HD+H
BLAIS, NC
ZHAO, MH
MLADENOVIC, M
TRUHLAR, DG
SCHWENKE, DW
SUN, Y
KOURI, DJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (02) : 1038 - 1042
[8] EFFECT OF REAGENT ROTATION ON BIMOLECULAR COLLISIONS - H + H2(J)
BOONENBERG, CA
MAYNE, HR
[J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (01) : 67 - 70
[9] THE EXPANSION OF PRODUCT PROBABILITY-DISTRIBUTIONS FROM TRAJECTORY CALCULATIONS IN TWO-DIMENSIONAL FOURIER-SERIES
BUDENHOLZER, FE
HU, SC
JENG, DC
GISLASON, EA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04) : 1958 - 1965
[10] STATE-RESOLVED DIFFERENTIAL CROSS-SECTIONS FOR THE REACTION D+H2-]HD+H
BUNTIN, SA
GIESE, CF
GENTRY, WR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) : 1443 - 1445

← 1 2 3 4 5 6 →