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GENERALIZED TRANSITION-STATE THEORY CALCULATIONS FOR THE REACTIONS D+H2 AND H+D2 USING AN ACCURATE POTENTIAL-ENERGY SURFACE - EXPLANATION OF THE KINETIC ISOTOPE EFFECT
被引:168
作者
:
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
GARRETT, BC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
TRUHLAR, DG
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1980年
/ 72卷
/ 06期
关键词
:
D O I
:
10.1063/1.439608
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:3460 / 3471
页数:12
相关论文
共 45 条
[1]
ALTKORN RI, J CHEM PHYS
[2]
GENERAL COLLISION THEORY TREATMENT FOR THE RATE OF BIMOLECULAR, GAS PHASE REACTIONS
ELIASON, MA
论文数:
0
引用数:
0
h-index:
0
ELIASON, MA
HIRSCHFELDER, JO
论文数:
0
引用数:
0
h-index:
0
HIRSCHFELDER, JO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1959,
30
(06)
: 1426
-
1436
[3]
IMPORTANCE OF QUARTIC ANHARMONICITY FOR BENDING PARTITION-FUNCTIONS IN TRANSITION-STATE THEORY
GARRETT, 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 55455
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(14)
: 1915
-
1924
[4]
ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 200
-
203
[5]
GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
[6]
GENERALIZED TRANSITION-STATE THEORY - QUANTUM EFFECTS FOR COLLINEAR REACTIONS OF HYDROGEN MOLECULES AND ISOTOPICALLY SUBSTITUTED HYDROGEN MOLECULES
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(08)
: 1079
-
1112
[7]
GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(16)
: 4534
-
4548
[8]
GENERALIZED TRANSITION-STATE THEORY - CLASSICAL MECHANICAL THEORY AND APPLICATIONS TO COLLINEAR REACTIONS OF HYDROGEN MOLECULES
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(08)
: 1052
-
1078
[9]
GENERALIZED TRANSITION-STATE THEORY - CANONICAL VARIATIONAL CALCULATIONS USING THE BOND ENERGY BOND ORDER METHOD FOR BIMOLECULAR REACTIONS OF COMBUSTION PRODUCTS
GARRETT, 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 55455
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(18)
: 5207
-
5217
[10]
RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2)
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
GARRETT, BC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
TRUHLAR, DG
[J].
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1979,
76
(10)
: 4755
-
4759
←
1
2
3
4
5
→
共 45 条
[1]
ALTKORN RI, J CHEM PHYS
[2]
GENERAL COLLISION THEORY TREATMENT FOR THE RATE OF BIMOLECULAR, GAS PHASE REACTIONS
ELIASON, MA
论文数:
0
引用数:
0
h-index:
0
ELIASON, MA
HIRSCHFELDER, JO
论文数:
0
引用数:
0
h-index:
0
HIRSCHFELDER, JO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1959,
30
(06)
: 1426
-
1436
[3]
IMPORTANCE OF QUARTIC ANHARMONICITY FOR BENDING PARTITION-FUNCTIONS IN TRANSITION-STATE THEORY
GARRETT, 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 55455
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(14)
: 1915
-
1924
[4]
ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 200
-
203
[5]
GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
[6]
GENERALIZED TRANSITION-STATE THEORY - QUANTUM EFFECTS FOR COLLINEAR REACTIONS OF HYDROGEN MOLECULES AND ISOTOPICALLY SUBSTITUTED HYDROGEN MOLECULES
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(08)
: 1079
-
1112
[7]
GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(16)
: 4534
-
4548
[8]
GENERALIZED TRANSITION-STATE THEORY - CLASSICAL MECHANICAL THEORY AND APPLICATIONS TO COLLINEAR REACTIONS OF HYDROGEN MOLECULES
GARRETT, 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 USA
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(08)
: 1052
-
1078
[9]
GENERALIZED TRANSITION-STATE THEORY - CANONICAL VARIATIONAL CALCULATIONS USING THE BOND ENERGY BOND ORDER METHOD FOR BIMOLECULAR REACTIONS OF COMBUSTION PRODUCTS
GARRETT, 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 55455
GARRETT, BC
TRUHLAR, 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
TRUHLAR, DG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(18)
: 5207
-
5217
[10]
RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2)
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
GARRETT, BC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
TRUHLAR, DG
[J].
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1979,
76
(10)
: 4755
-
4759
←
1
2
3
4
5
→