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POLYATOMIC CANONICAL VARIATIONAL THEORY FOR CHEMICAL-REACTION RATES - SEPARABLE-MODE FORMALISM WITH APPLICATION TO OH+H2-]H2O+H
被引:313
作者
:
ISAACSON, AD
论文数:
0
引用数:
0
h-index:
0
ISAACSON, AD
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
TRUHLAR, DG
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1982年
/ 76卷
/ 03期
关键词
:
D O I
:
10.1063/1.443130
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:1380 / 1391
页数:12
相关论文
共 45 条
[1]
[Anonymous], 1967, ADV CHEM PHYS, DOI 10.1002/9780470140154.ch5
[2]
Davis PJ, 1964, HDB MATH FUNCTIONS, P875
[3]
The energy levels of a rotating vibrator
Dunham, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Harvard Univ, Cambridge, MA USA
Harvard Univ, Cambridge, MA USA
Dunham, JL
[J].
PHYSICAL REVIEW,
1932,
41
(06):
: 721
-
731
[4]
CONSTITUENT ANALYSIS OF POTENTIAL GRADIENT ALONG A REACTION COORDINATE - METHOD AND AN APPLICATION TO CH4 + T REACTION
FUKUI, K
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUKUI, K
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KATO, S
FUJIMOTO, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUJIMOTO, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(01)
: 1
-
7
[5]
Garrett B. C., 1981, POTENTIAL ENERGY SUR, P587
[6]
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
[7]
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
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].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(06)
: 3460
-
3471
[8]
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
[9]
VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS, AND THE UNIFIED STATISTICAL-MODEL TESTED AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR COLLINEAR F+H2, H+F2, AND ISOTOPIC ANALOGS
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
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
TRUHLAR, DG
GREV, 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
GREV, RS
MAGNUSON, 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
MAGNUSON, AW
CONNOR, JNL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
CONNOR, JNL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(04)
: 1721
-
1728
[10]
GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
←
1
2
3
4
5
→
共 45 条
[1]
[Anonymous], 1967, ADV CHEM PHYS, DOI 10.1002/9780470140154.ch5
[2]
Davis PJ, 1964, HDB MATH FUNCTIONS, P875
[3]
The energy levels of a rotating vibrator
Dunham, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Harvard Univ, Cambridge, MA USA
Harvard Univ, Cambridge, MA USA
Dunham, JL
[J].
PHYSICAL REVIEW,
1932,
41
(06):
: 721
-
731
[4]
CONSTITUENT ANALYSIS OF POTENTIAL GRADIENT ALONG A REACTION COORDINATE - METHOD AND AN APPLICATION TO CH4 + T REACTION
FUKUI, K
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUKUI, K
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KATO, S
FUJIMOTO, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
FUJIMOTO, H
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(01)
: 1
-
7
[5]
Garrett B. C., 1981, POTENTIAL ENERGY SUR, P587
[6]
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
[7]
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
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].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(06)
: 3460
-
3471
[8]
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
[9]
VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS, AND THE UNIFIED STATISTICAL-MODEL TESTED AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR COLLINEAR F+H2, H+F2, AND ISOTOPIC ANALOGS
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
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
TRUHLAR, DG
GREV, 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
GREV, RS
MAGNUSON, 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
MAGNUSON, AW
CONNOR, JNL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
CONNOR, JNL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(04)
: 1721
-
1728
[10]
GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
←
1
2
3
4
5
→