TEST OF VARIATIONAL TRANSITION-STATE THEORY AND THE LEAST-ACTION APPROXIMATION FOR MULTIDIMENSIONAL TUNNELING PROBABILITIES AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR A COLLINEAR REACTION INVOLVING TUNNELING INTO AN EXCITED-STATE

被引：115
作者：
GARRETT, BC
ABUSALBI, N
KOURI, DJ
TRUHLAR, DG
机构：
[1] UNIV HOUSTON, DEPT CHEM, HOUSTON, TX 77004 USA
[2] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
[3] UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
来源：
JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 05期
关键词：
D O I：
10.1063/1.449318
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：2252 / 2258
页数：7
相关论文
共 47 条
[1]   COMPARISON OF MULTICHANNEL AND 2-STATE CALCULATIONS FOR H-ATOM TRANSFER BETWEEN 2 NEARLY DEGENERATE STATES [J].
ABUSALBI, N ;
KOURI, DJ ;
LOPEZ, V ;
BABAMOV, VK ;
MARCUS, RA .
CHEMICAL PHYSICS LETTERS, 1984, 103 (06) :458-462
[2]   AN EXPONENTIATED DWBA FORMULA FOR H-ATOM TRANSFERS - EXTENSIONS TO LOWER BARRIER POTENTIALS AND TO HIGHER ENERGIES [J].
BABAMOV, VK ;
LOPEZ, V ;
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :1812-1816
[3]   DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SIMPLIFIED ANALYTIC 2-STATE FORMULAS [J].
BABAMOV, VK ;
LOPEZ, V ;
MARCUS, RA .
CHEMICAL PHYSICS LETTERS, 1983, 101 (06) :507-511
[4]   CORRECTION [J].
BABAMOV, VK .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (09) :4181-4181
[5]  
BABAMOV VK, 1984, J CHEM PHYS, V81, P4182, DOI 10.1063/1.448204
[6]   DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - NEARLY DEGENERATE ASYMMETRIC CASE [J].
BABAMOV, VK ;
LOPEZ, V ;
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5621-5628
[7]   DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE [J].
BABAMOV, VK ;
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1790-1798
[8]   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
[9]   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 [J].
BONDI, DK ;
CLARY, DC ;
CONNOR, JNL ;
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (10) :4986-4995
[10]   APPLICATIONS OF A SIMPLE DYNAMICAL MODEL TO THE REACTION-PATH HAMILTONIAN - TUNNELING CORRECTIONS TO RATE CONSTANTS, PRODUCT STATE DISTRIBUTIONS, LINE WIDTHS OF LOCAL MODE OVERTONES, AND MODE SPECIFICITY IN UNIMOLECULAR DECOMPOSITION [J].
CERJAN, CJ ;
SHI, S ;
MILLER, WH .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2244-2251
12345