THE REACTIVE FLUX CORRELATION-FUNCTION FOR COLLINEAR REACTIONS H + H-2, CL + HCL AND F + H-2

被引：57

作者：

TROMP, JW ^{[1
]}

MILLER, WH ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, DIV MAT & CHEM SCI, BERKELEY, CA 94720 USA

来源：

FARADAY DISCUSSIONS | 1987年 / 84卷

关键词：

D O I：

10.1039/dc9878400441

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：441 / 453

页数：13

共 29 条

[1] TEST OF VARIATIONAL TRANSITION-STATE THEORY WITH A LARGE-CURVATURE TUNNELING APPROXIMATION AGAINST ACCURATE QUANTAL REACTION PROBABILITIES AND RATE COEFFICIENTS FOR 3 COLLINEAR REACTIONS WITH LARGE REACTION-PATH CURVATURE - CL+HCL,CL+DCL, AND CL+MUCL [J].

BONDI, DK ;

CONNOR, JNL ;

GARRETT, BC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (10) :5981-5989

[2]

CHANG J, IN PRESS J CHEM PHYS

[3] ACCURACY OF TRANSITION-STATE THEORY FOR THRESHOLD OF CHEMICAL-REACTIONS WITH ACTIVATION-ENERGY - COLLINEAR AND 3-DIMENSIONAL H + H2 [J].

CHAPMAN, S ;

HORNSTEIN, SM ;

MILLER, WH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (04) :892-894

[4] PARTIAL AVERAGING APPROACH TO FOURIER COEFFICIENT PATH INTEGRATION [J].

COALSON, RD ;

FREEMAN, DL ;

DOLL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4567-4583

[5]

DOLL JD, IN PRESS J CHEM PHYS

[6] COMBINING TRANSITION-STATE CALCULATIONS WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS .2. COLLINEAR COLLISIONS INVOLVING VIBRATIONALLY EXCITED REAGENTS [J].

FROST, RJ ;

SMITH, IWM .

CHEMICAL PHYSICS, 1987, 111 (03) :389-400

[7] VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS, AND THE UNIFIED STATISTICAL-MODEL TESTED AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR COLLINEAR F+H2, H+F2, AND ISOTOPIC ANALOGS [J].

GARRETT, BC ;

TRUHLAR, DG ;

GREV, RS ;

MAGNUSON, AW ;

CONNOR, JNL .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) :1721-1728

[8]

Glasstone S, 1941, THEORY RATE PROCESSE

[9] QUANTUM-MECHANICAL RATE CONSTANTS VIA PATH-INTEGRALS - DIFFUSION OF HYDROGEN-ATOMS ON A W(100) SURFACE [J].

JAQUET, R ;

MILLER, WH .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (11) :2139-2144

[10] HYPERSPHERICAL COORDINATES IN QUANTUM-MECHANICAL COLLINEAR REACTIVE SCATTERING [J].

KUPPERMANN, A ;

KAYE, JA ;

DWYER, JP .

CHEMICAL PHYSICS LETTERS, 1980, 74 (02) :257-262

← 1 2 3 →