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RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2)
被引:108
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
:
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
|
1979年
/ 76卷
/ 10期
关键词
:
D O I
:
10.1073/pnas.76.10.4755
中图分类号
:
O [数理科学和化学];
P [天文学、地球科学];
Q [生物科学];
N [自然科学总论];
学科分类号
:
07 ;
0710 ;
09 ;
摘要
:
[No abstract available]
引用
收藏
页码:4755 / 4759
页数:5
相关论文
共 40 条
[1]
[Anonymous], 1966, GAS PHASE REACTION R
[2]
SEMICLASSICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS - APPLICATION TO COLLINEAR H+H2 REACTION
CHAPMAN, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
CHAPMAN, S
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
GARRETT, BC
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
MILLER, WH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(06)
: 2710
-
2716
[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]
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
[6]
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
[7]
GARRETT BC, J AM CHEM SOC
[8]
Glasstone S, 1941, THEORY RATE PROCESSE
[9]
EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2)
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
SHARMA, RD
论文数:
0
引用数:
0
h-index:
0
SHARMA, RD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(09)
: 3259
-
&
[10]
EXACT QUANTUM-MECHANICAL TRANSITION-STATE THEORY .1. OVERVIEW
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
KUPPERMANN, A
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 171
-
187
←
1
2
3
4
→
共 40 条
[1]
[Anonymous], 1966, GAS PHASE REACTION R
[2]
SEMICLASSICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS - APPLICATION TO COLLINEAR H+H2 REACTION
CHAPMAN, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
CHAPMAN, S
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
GARRETT, BC
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA
MILLER, WH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(06)
: 2710
-
2716
[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]
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
[6]
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
[7]
GARRETT BC, J AM CHEM SOC
[8]
Glasstone S, 1941, THEORY RATE PROCESSE
[9]
EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2)
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
SHARMA, RD
论文数:
0
引用数:
0
h-index:
0
SHARMA, RD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(09)
: 3259
-
&
[10]
EXACT QUANTUM-MECHANICAL TRANSITION-STATE THEORY .1. OVERVIEW
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
KUPPERMANN, A
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 171
-
187
←
1
2
3
4
→