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A COUPLED STATES CALCULATION OF ACCURATE QUANTUM RATE CONSTANTS FOR H + H-2
被引:42
作者
:
COLTON, MC
论文数:
0
引用数:
0
h-index:
0
COLTON, MC
SCHATZ, GC
论文数:
0
引用数:
0
h-index:
0
SCHATZ, GC
机构
:
来源
:
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
|
1986年
/ 18卷
/ 09期
关键词
:
D O I
:
10.1002/kin.550180907
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:961 / 975
页数:15
相关论文
共 37 条
[1]
H + H-2 REACTION BARRIER - A FIXED-NODE QUANTUM MONTE-CARLO STUDY
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
BARNETT, RN
REYNOLDS, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
REYNOLDS, PJ
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
LESTER, WA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(06)
: 2700
-
2707
[2]
INCORPORATION OF COLLINEAR EXACT QUANTUM REACTION PROBABILITIES INTO 3-DIMENSIONAL TRANSITION-STATE THEORY
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
BOWMAN, JM
JU, GZ
论文数:
0
引用数:
0
h-index:
0
JU, GZ
LEE, KT
论文数:
0
引用数:
0
h-index:
0
LEE, KT
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(12)
: 2232
-
2239
[3]
REDUCED DIMENSIONALITY THEORIES OF QUANTUM REACTIVE SCATTERING
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO, JAMES FRANCK INST, CHICAGO, IL 60637 USA
UNIV CHICAGO, JAMES FRANCK INST, CHICAGO, IL 60637 USA
BOWMAN, JM
[J].
ADVANCES IN CHEMICAL PHYSICS,
1985,
61
: 115
-
167
[4]
QUANTUM MONTE-CARLO FOR MOLECULES - GREEN-FUNCTION AND NODAL RELEASE
CEPERLEY, DM
论文数:
0
引用数:
0
h-index:
0
CEPERLEY, DM
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
ALDER, BJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(12)
: 5833
-
5844
[5]
COLTON MC, 1986, THESIS NW U
[6]
QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION
ELKOWITZ, AB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
WYATT, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(06)
: 2504
-
2506
[7]
FARKAS A, 1935, P ROY SOC LOND A MAT, V152, P124
[8]
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
[9]
A LEAST-ACTION VARIATIONAL METHOD FOR CALCULATING MULTIDIMENSIONAL TUNNELING PROBABILITIES FOR CHEMICAL-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 CHEMICAL PHYSICS,
1983,
79
(10)
: 4931
-
4938
[10]
IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY
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
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1980,
84
(13)
: 1730
-
1748
←
1
2
3
4
→
共 37 条
[1]
H + H-2 REACTION BARRIER - A FIXED-NODE QUANTUM MONTE-CARLO STUDY
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
BARNETT, RN
REYNOLDS, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
REYNOLDS, PJ
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
LESTER, WA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(06)
: 2700
-
2707
[2]
INCORPORATION OF COLLINEAR EXACT QUANTUM REACTION PROBABILITIES INTO 3-DIMENSIONAL TRANSITION-STATE THEORY
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
BOWMAN, JM
JU, GZ
论文数:
0
引用数:
0
h-index:
0
JU, GZ
LEE, KT
论文数:
0
引用数:
0
h-index:
0
LEE, KT
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(12)
: 2232
-
2239
[3]
REDUCED DIMENSIONALITY THEORIES OF QUANTUM REACTIVE SCATTERING
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO, JAMES FRANCK INST, CHICAGO, IL 60637 USA
UNIV CHICAGO, JAMES FRANCK INST, CHICAGO, IL 60637 USA
BOWMAN, JM
[J].
ADVANCES IN CHEMICAL PHYSICS,
1985,
61
: 115
-
167
[4]
QUANTUM MONTE-CARLO FOR MOLECULES - GREEN-FUNCTION AND NODAL RELEASE
CEPERLEY, DM
论文数:
0
引用数:
0
h-index:
0
CEPERLEY, DM
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
ALDER, BJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(12)
: 5833
-
5844
[5]
COLTON MC, 1986, THESIS NW U
[6]
QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION
ELKOWITZ, AB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712
WYATT, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(06)
: 2504
-
2506
[7]
FARKAS A, 1935, P ROY SOC LOND A MAT, V152, P124
[8]
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
[9]
A LEAST-ACTION VARIATIONAL METHOD FOR CALCULATING MULTIDIMENSIONAL TUNNELING PROBABILITIES FOR CHEMICAL-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 CHEMICAL PHYSICS,
1983,
79
(10)
: 4931
-
4938
[10]
IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY
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
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1980,
84
(13)
: 1730
-
1748
←
1
2
3
4
→