DIFFUSION OF HYDROGEN, DEUTERIUM, AND TRITIUM ON THE (100) PLANE OF COPPER - REACTION-PATH FORMULATION, VARIATIONAL TRANSITION-STATE THEORY, AND TUNNELING CALCULATIONS

被引:101
作者
LAUDERDALE, JG
TRUHLAR, DG
机构
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D O I
10.1016/0039-6028(85)90766-6
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 ;
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页码:558 / 588
页数:31
相关论文
共 68 条
[61]  
TUTTON AEH, 1922, CRYSTALLOGRAPHY PRAC, P678
[62]   THE ISOTOPE AND TEMPERATURE-DEPENDENCE OF SELF-DIFFUSION FOR HYDROGEN, DEUTERIUM, AND TRITIUM ON CU(100) IN THE 100-1000 K-RANGE [J].
VALONE, SM ;
VOTER, AF ;
DOLL, JD .
SURFACE SCIENCE, 1985, 155 (2-3) :687-699
[63]   A COVERAGE STUDY OF THE SELF-DIFFUSION AND CHEMICAL DIFFUSION CONSTANTS FOR DISORDERED OVERLAYERS OF XE ON W(110) [J].
VALONE, SM ;
DOLL, JD .
SURFACE SCIENCE, 1984, 139 (2-3) :478-490
[64]   DYNAMICAL CORRECTIONS TO TRANSITION-STATE THEORY FOR MULTISTATE SYSTEMS - SURFACE SELF-DIFFUSION IN THE RARE-EVENT REGIME [J].
VOTER, AF ;
DOLL, JD .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :80-92
[65]   TRANSITION-STATE THEORY DESCRIPTION OF SURFACE SELF-DIFFUSION - COMPARISON WITH CLASSICAL TRAJECTORY RESULTS [J].
VOTER, AF ;
DOLL, JD .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5832-5838
[66]   SURFACE SELF-DIFFUSION CONSTANTS AT LOW-TEMPERATURE - MONTE-CARLO TRANSITION-STATE THEORY WITH IMPORTANCE SAMPLING [J].
VOTER, AF ;
DOLL, JD .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5814-5817
[67]  
WESTON RE, 1972, CHEM KINETICS, P101
[68]   ADSORPTION AND DIFFUSION OF HYDROGEN ON NICKEL [J].
WORTMAN, R ;
GOMER, R ;
LUNDY, R .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (05) :1099-1107