KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS

被引:87
作者
BONDI, DK [2 ]
CLARY, DC
CONNOR, JNL
GARRETT, BC
TRUHLAR, DG
机构
[1] CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
[2] UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND
[3] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
关键词
D O I
10.1063/1.442845
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
收藏
页码:4986 / 4995
页数:10
相关论文
共 68 条
[41]   COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND THE UNIFIED STATISTICAL-MODEL WITH VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS TO ACCURATE COLLINEAR RATE CONSTANTS FOR T+HD-]TH+D [J].
GARRETT, BC ;
TRUHLAR, DG ;
GREV, RS ;
WALKER, RB .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) :235-240
[42]   ALGORITHM FOR INTEGRATION OF UNEQUALLY SPACED DATA [J].
GILL, PE ;
MILLER, GF .
COMPUTER JOURNAL, 1972, 15 (01) :80-&
[43]   GAS-PHASE NUONIUM CHEMISTRY, ISOTOPE EFFECTS, AND COLLISION THEORY - THEORETICAL INVESTIGATIONS OF THE MU + F2 AND MU + CL2 REACTIONS AND THEIR ISOTOPIC COUNTERPARTS [J].
JAKUBETZ, W .
HYPERFINE INTERACTIONS, 1979, 6 (1-4) :387-395
[44]  
JAKUBETZ W, 1979, J AM CHEM SOC, V101, P298
[45]  
JOHNSON BR, 1977, J CHEM PHYS, V67, P4086, DOI 10.1063/1.435384
[46]   VIBRATIONAL-STATE DISTRIBUTIONS FOR IMPULSIVE TRIATOMIC REACTIONS [J].
KORSCH, HJ .
CHEMICAL PHYSICS, 1978, 33 (02) :313-318
[47]   HYPERSPHERICAL COORDINATES IN QUANTUM-MECHANICAL COLLINEAR REACTIVE SCATTERING [J].
KUPPERMANN, A ;
KAYE, JA ;
DWYER, JP .
CHEMICAL PHYSICS LETTERS, 1980, 74 (02) :257-262
[48]   R MATRIX APPROACH TO SOLUTION OF COUPLED EQUATIONS FOR ATOM-MOLECULE REACTIVE SCATTERING [J].
LIGHT, JC ;
WALKER, RB .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) :4272-4282
[49]   AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3 [J].
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1925-1937
[50]   COLLINEAR LIGHT-ATOM EXCHANGE-REACTIONS EVALUATED BY S-MATRIX PROPAGATION ALONG DELVES RADIAL COORDINATE [J].
MANZ, J ;
ROMELT, J .
CHEMICAL PHYSICS LETTERS, 1980, 76 (02) :337-340