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IMPROVED POTENTIAL-ENERGY SURFACES FOR THE REACTION O(P-3)+H-2-]OH+H
被引:48
作者
:
JOSEPH, T
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
JOSEPH, T
[
1
]
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
TRUHLAR, DG
[
1
]
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
GARRETT, BC
[
1
]
机构
:
[1]
CHEM DYNAM CORP,UPPER MARLBORO,MD 20772
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1988年
/ 88卷
/ 11期
关键词
:
D O I
:
10.1063/1.454396
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:6982 / 6990
页数:9
相关论文
共 41 条
[1]
THEORETICAL INVESTIGATIONS OF CHEMISTRY OF SINGLET AND TRIPLET SPECIES .1. INSERTION AND ABSTRACTION REACTIONS
[J].
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
BADER, RFW
;
GANGI, RA
论文数:
0
引用数:
0
h-index:
0
GANGI, RA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(08)
:1831
-&
[2]
Baulch DL, 1974, BER BUNSEN PHYS CHEM, P212
[3]
REACTION DYNAMICS FOR O(P-3) + H-2 AND D2 .4. REDUCED DIMENSIONALITY QUANTUM AND QUASICLASSICAL RATE CONSTANTS WITH AN ADIABATIC INCORPORATION OF THE BENDING MOTION
[J].
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BOWMAN, JM
;
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
WAGNER, AF
;
WALCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
WALCH, SP
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(04)
:1739
-1752
[4]
REACTION DYNAMICS FOR O(3P)+HD .5. REDUCED DIMENSIONALITY QUANTUM AND QUASI-CLASSICAL REACTION PROBABILITIES AND RATE CONSTANTS WITH AN ADIABATIC INCORPORATION OF THE BENDING MOTION
[J].
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
BOWMAN, JM
;
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
WAGNER, AF
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(04)
:1967
-1975
[5]
CHEMICAL KINETIC DATA SHEETS FOR HIGH-TEMPERATURE CHEMICAL-REACTIONS
[J].
COHEN, N
论文数:
0
引用数:
0
h-index:
0
COHEN, N
;
WESTBERG, KR
论文数:
0
引用数:
0
h-index:
0
WESTBERG, KR
.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA,
1983,
12
(03)
:531
-590
[6]
EFFECTIVE BENDING FREQUENCIES, ENERGIES, AND TUNNELING PARAMETERS OF TRANSITION-STATES FROM THERMAL RATE DATA AND SEMIEMPIRICAL INTERNUCLEAR DISTANCES - DHH, HDD, OHH, ODD
[J].
FURUE, H
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
FURUE, H
;
PACEY, PD
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
PACEY, PD
.
JOURNAL OF PHYSICAL CHEMISTRY,
1987,
91
(15)
:4132
-4137
[7]
THERMAL AND STATE-SELECTED RATE-CONSTANT CALCULATIONS FOR O(P-3) + H-2-] OH + H AND ISOTOPIC ANALOGS
[J].
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
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1986,
29
(05)
:1463
-1482
[8]
IMPORTANCE OF QUARTIC ANHARMONICITY FOR BENDING PARTITION-FUNCTIONS IN TRANSITION-STATE THEORY
[J].
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
.
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(14)
:1915
-1924
[9]
A LEAST-ACTION VARIATIONAL METHOD FOR CALCULATING MULTIDIMENSIONAL TUNNELING PROBABILITIES FOR CHEMICAL-REACTIONS
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(10)
:4931
-4938
[10]
IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY
[J].
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
;
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
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
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
MAGNUSON, AW
.
JOURNAL OF PHYSICAL CHEMISTRY,
1980,
84
(13)
:1730
-1748
←
1
2
3
4
5
→
共 41 条
[1]
THEORETICAL INVESTIGATIONS OF CHEMISTRY OF SINGLET AND TRIPLET SPECIES .1. INSERTION AND ABSTRACTION REACTIONS
[J].
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
BADER, RFW
;
GANGI, RA
论文数:
0
引用数:
0
h-index:
0
GANGI, RA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(08)
:1831
-&
[2]
Baulch DL, 1974, BER BUNSEN PHYS CHEM, P212
[3]
REACTION DYNAMICS FOR O(P-3) + H-2 AND D2 .4. REDUCED DIMENSIONALITY QUANTUM AND QUASICLASSICAL RATE CONSTANTS WITH AN ADIABATIC INCORPORATION OF THE BENDING MOTION
[J].
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BOWMAN, JM
;
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
WAGNER, AF
;
WALCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
WALCH, SP
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(04)
:1739
-1752
[4]
REACTION DYNAMICS FOR O(3P)+HD .5. REDUCED DIMENSIONALITY QUANTUM AND QUASI-CLASSICAL REACTION PROBABILITIES AND RATE CONSTANTS WITH AN ADIABATIC INCORPORATION OF THE BENDING MOTION
[J].
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
BOWMAN, JM
;
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
WAGNER, AF
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(04)
:1967
-1975
[5]
CHEMICAL KINETIC DATA SHEETS FOR HIGH-TEMPERATURE CHEMICAL-REACTIONS
[J].
COHEN, N
论文数:
0
引用数:
0
h-index:
0
COHEN, N
;
WESTBERG, KR
论文数:
0
引用数:
0
h-index:
0
WESTBERG, KR
.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA,
1983,
12
(03)
:531
-590
[6]
EFFECTIVE BENDING FREQUENCIES, ENERGIES, AND TUNNELING PARAMETERS OF TRANSITION-STATES FROM THERMAL RATE DATA AND SEMIEMPIRICAL INTERNUCLEAR DISTANCES - DHH, HDD, OHH, ODD
[J].
FURUE, H
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
FURUE, H
;
PACEY, PD
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
PACEY, PD
.
JOURNAL OF PHYSICAL CHEMISTRY,
1987,
91
(15)
:4132
-4137
[7]
THERMAL AND STATE-SELECTED RATE-CONSTANT CALCULATIONS FOR O(P-3) + H-2-] OH + H AND ISOTOPIC ANALOGS
[J].
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
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1986,
29
(05)
:1463
-1482
[8]
IMPORTANCE OF QUARTIC ANHARMONICITY FOR BENDING PARTITION-FUNCTIONS IN TRANSITION-STATE THEORY
[J].
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
.
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(14)
:1915
-1924
[9]
A LEAST-ACTION VARIATIONAL METHOD FOR CALCULATING MULTIDIMENSIONAL TUNNELING PROBABILITIES FOR CHEMICAL-REACTIONS
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(10)
:4931
-4938
[10]
IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY
[J].
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
;
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
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
UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
MAGNUSON, AW
.
JOURNAL OF PHYSICAL CHEMISTRY,
1980,
84
(13)
:1730
-1748
←
1
2
3
4
5
→