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 [J].

BAER, M ;

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KOURI, DJ .

CHEMICAL PHYSICS LETTERS, 1980, 72 (02) :269-274

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KHARE, V ;

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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 [J].

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[4] QUASI-CLASSICAL CALCULATIONS OF ELASTIC AND ROTATIONALLY AND VIBRATIONALLY INELASTIC DIFFERENTIAL CROSS-SECTIONS FOR LI+ + H2 [J].

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[5] IMPROVED QUASICLASSICAL HISTOGRAM METHOD [J].

BOWMAN, JM ;

LEASURE, SC .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (04) :1756-1757

[6] SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION [J].

BOWMAN, JM ;

LEE, KT .

CHEMICAL PHYSICS LETTERS, 1979, 64 (02) :291-294

[7] SUDDEN APPROXIMATION CALCULATIONS OF REACTIVE SCATTERING - H+H2 REACTION [J].

BOWMAN, JM ;

LEE, KT .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) :3940-3941

[8] 3-DIMENSIONAL QUANTUM-MECHANICAL STUDIES OF H+H2 REACTIVE SCATTERING [J].

CHOI, BH ;

TANG, KT .

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 [J].

CLARY, DC ;

CONNOR, JNL .

CHEMICAL PHYSICS, 1980, 48 (02) :175-181

[10] COLLINEAR CLASSICAL DYNAMICS ON A CHEMICALLY ACCURATE H+H2 POTENTIAL-ENERGY SURFACE [J].

HOWARD, RE ;

YATES, AC ;

LESTER, WA .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) :1960-1967

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