QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .2. EFFECT OF INITIAL VIBRATION AND ROTATION ON REACTIVITY

被引：70

作者：

BARG, GD ^{[1
]}

MAYNE, HR ^{[1
]}

TOENNIES, JP ^{[1
]}

机构：

[1] MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 74卷 / 02期

关键词：

D O I：

10.1063/1.441234

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：1017 / 1025

页数：9

共 32 条

[1] INTEGRAL AND DIFFERENTIAL CROSS-SECTIONS FOR THE H2(NU-I=1) + H REACTION - A COMPARISON BETWEEN AVERAGE-L LABELED INFINITE-ORDER SUDDEN APPROXIMATION AND CLASSICAL TREATMENTS
BAER, M
MAYNE, HR
KHARE, V
KOURI, DJ
[J]. CHEMICAL PHYSICS LETTERS, 1980, 72 (02) : 269 - 274
[2] INTEGRAL TOTAL REACTIVE CROSS-SECTION CALCULATIONS WITHIN THE INFINITE-ORDER SUDDEN APPROXIMATION
BAER, M
KHARE, V
KOURI, DJ
[J]. CHEMICAL PHYSICS LETTERS, 1979, 68 (2-3) : 378 - 381
[3] STUDY OF DYNAMICS OF ROTATIONAL EXCITATION - QUASI-CLASSICAL PHASE SPACE DENSITY FUNCTIONS FOR LI+ + H-2 AT 0.6 EV
BARG, GD
TOENNIES, JP
[J]. CHEMICAL PHYSICS LETTERS, 1977, 51 (01) : 23 - 29
[4] QUASI-CLASSICAL CALCULATIONS OF ELASTIC AND ROTATIONALLY AND VIBRATIONALLY INELASTIC DIFFERENTIAL CROSS-SECTIONS FOR LI+ + H2
BARG, GD
KENDALL, GM
TOENNIES, JP
[J]. CHEMICAL PHYSICS, 1976, 16 (03) : 243 - 268
[5] IMPROVED QUASICLASSICAL HISTOGRAM METHOD
BOWMAN, JM
LEASURE, SC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (04) : 1756 - 1757
[6] SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION
BOWMAN, JM
LEE, KT
[J]. CHEMICAL PHYSICS LETTERS, 1979, 64 (02) : 291 - 294
[7] SUDDEN APPROXIMATION CALCULATIONS OF REACTIVE SCATTERING - H+H2 REACTION
BOWMAN, JM
LEE, KT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) : 3940 - 3941
[8] 3-DIMENSIONAL QUANTUM-MECHANICAL STUDIES OF H+H2 REACTIVE SCATTERING
CHOI, BH
TANG, KT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) : 5161 - 5180
[9] DISTORTED-WAVE CALCULATIONS FOR THE 3-DIMENSIONAL CHEMICAL-REACTION H+H2(VLESS-THAN-OR-EQUAL-TO2,4=0)-]H2(V'LESS-THAN-OR-EQUAL-TO2,4',MJ')+H
CLARY, DC
CONNOR, JNL
[J]. CHEMICAL PHYSICS, 1980, 48 (02) : 175 - 181
[10] COLLINEAR CLASSICAL DYNAMICS ON A CHEMICALLY ACCURATE H+H2 POTENTIAL-ENERGY SURFACE
HOWARD, RE
YATES, AC
LESTER, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) : 1960 - 1967

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