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

页码：2252 / 2258

页数：7

共 47 条

[1] COMPARISON OF MULTICHANNEL AND 2-STATE CALCULATIONS FOR H-ATOM TRANSFER BETWEEN 2 NEARLY DEGENERATE STATES
ABUSALBI, N
KOURI, DJ
LOPEZ, V
BABAMOV, VK
MARCUS, RA
[J]. 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
BABAMOV, VK
LOPEZ, V
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) : 1812 - 1816
[3] DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SIMPLIFIED ANALYTIC 2-STATE FORMULAS
BABAMOV, VK
LOPEZ, V
MARCUS, RA
[J]. CHEMICAL PHYSICS LETTERS, 1983, 101 (06) : 507 - 511
[4] CORRECTION
BABAMOV, VK
[J]. 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
BABAMOV, VK
LOPEZ, V
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) : 5621 - 5628
[7] DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE
BABAMOV, VK
MARCUS, RA
[J]. 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
BONDI, DK
CONNOR, JNL
GARRETT, BC
TRUHLAR, DG
[J]. 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
BONDI, DK
CLARY, DC
CONNOR, JNL
GARRETT, BC
TRUHLAR, DG
[J]. 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
CERJAN, CJ
SHI, S
MILLER, WH
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) : 2244 - 2251

← 1 2 3 4 5 →