共 47 条
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
被引:128
作者:

BONDI, DK
论文数: 0 引用数: 0
h-index: 0
机构: UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND

CONNOR, JNL
论文数: 0 引用数: 0
h-index: 0
机构: UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND

GARRETT, BC
论文数: 0 引用数: 0
h-index: 0
机构: UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND

TRUHLAR, DG
论文数: 0 引用数: 0
h-index: 0
机构: UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND
机构:
[1] UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND
[2] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
[3] CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
关键词:
D O I:
10.1063/1.444613
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:5981 / 5989
页数:9
相关论文
共 47 条
- [11] GENERALIZED TRANSITION-STATE THEORY - QUANTUM EFFECTS FOR COLLINEAR REACTIONS OF HYDROGEN MOLECULES AND ISOTOPICALLY SUBSTITUTED HYDROGEN MOLECULES[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) : 1079 - 1112GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USATRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
- [12] IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (13) : 1730 - 1748GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USATRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USAGREV, RS论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USAMAGNUSON, AW论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
- [13] GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4534 - 4548GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USATRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
- [14] VARIATIONAL TRANSITION-STATE THEORY - PRIMARY KINETIC ISOTOPE EFFECTS FOR ATOM TRANSFER-REACTIONS[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (08) : 2559 - 2570GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USATRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
- [15] GENERALIZED TRANSITION-STATE THEORY - CANONICAL VARIATIONAL CALCULATIONS USING THE BOND ENERGY BOND ORDER METHOD FOR BIMOLECULAR REACTIONS OF COMBUSTION PRODUCTS[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (18) : 5207 - 5217GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455 UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455TRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455 UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
- [16] VARIATIONAL TRANSITION-STATE THEORY AND VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS FOR KINETIC ISOTOPE EFFECTS IN THE CL-H-H REACTION SYSTEM[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (02) : 1029 - 1043GARRETT, BC论文数: 0 引用数: 0 h-index: 0TRUHLAR, DG论文数: 0 引用数: 0 h-index: 0MAGNUSON, AW论文数: 0 引用数: 0 h-index: 0
- [17] CORRECTION[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (06) : 682 - 682GARRETT, BC论文数: 0 引用数: 0 h-index: 0
- [18] RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2)[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (10) : 4755 - 4759GARRETT, BC论文数: 0 引用数: 0 h-index: 0TRUHLAR, DG论文数: 0 引用数: 0 h-index: 0
- [19] NEW SEMI-EMPIRICAL METHOD OF MODELING POTENTIAL-ENERGY SURFACES FOR GENERALIZED TST AND APPLICATION TO THE KINETIC ISOTOPE EFFECTS IN THE CL-H-H SYSTEM[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (05) : 2321 - 2331GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: CHEM DYNAM CORP,COLUMBUS,OH 43220 CHEM DYNAM CORP,COLUMBUS,OH 43220TRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: CHEM DYNAM CORP,COLUMBUS,OH 43220 CHEM DYNAM CORP,COLUMBUS,OH 43220MAGNUSON, AW论文数: 0 引用数: 0 h-index: 0机构: CHEM DYNAM CORP,COLUMBUS,OH 43220 CHEM DYNAM CORP,COLUMBUS,OH 43220
- [20] 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]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) : 235 - 240GARRETT, BC论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USATRUHLAR, DG论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USAGREV, RS论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USAWALKER, RB论文数: 0 引用数: 0 h-index: 0机构: UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA