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SEMICLASSICAL VARIATIONAL TRANSITION-STATE CALCULATIONS FOR THE REACTIONS OF H AND D WITH THERMAL AND VIBRATIONALLY EXCITED H-2
被引:57
作者
:
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
LOS ALAMOS SCI LAB,DIV CHEM,LOS ALAMOS,NM 87545
GARRETT, BC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
LOS ALAMOS SCI LAB,DIV CHEM,LOS ALAMOS,NM 87545
TRUHLAR, DG
VARANDAS, AJC
论文数:
0
引用数:
0
h-index:
0
机构:
LOS ALAMOS SCI LAB,DIV CHEM,LOS ALAMOS,NM 87545
VARANDAS, AJC
BLAIS, NC
论文数:
0
引用数:
0
h-index:
0
机构:
LOS ALAMOS SCI LAB,DIV CHEM,LOS ALAMOS,NM 87545
BLAIS, NC
机构
:
[1]
LOS ALAMOS SCI LAB,DIV CHEM,LOS ALAMOS,NM 87545
[2]
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
来源
:
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
|
1986年
/ 18卷
/ 09期
关键词
:
D O I
:
10.1002/kin.550180913
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:1065 / 1077
页数:13
相关论文
共 56 条
[1]
INTEGRAL AND STATE-TO-STATE CROSS-SECTIONS FOR THE REACTION D+H2(NU-I)-]HD(NU-F)+H - A QUANTUM-MECHANICAL STUDY WITHIN THE INFINITE-ORDER SUDDEN APPROXIMATION
ABUSALBI, N
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
ABUSALBI, N
KOURI, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
KOURI, DJ
SHIMA, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
SHIMA, Y
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
BAER, M
[J].
CHEMICAL PHYSICS LETTERS,
1984,
105
(05)
: 472
-
476
[2]
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
[3]
Blais N. C., 1981, POTENTIAL ENERGY SUR, P431
[4]
DYNAMICAL CALCULATION OF THE TEMPERATURE-DEPENDENCE OF THE ACTIVATION-ENERGY FOR A CHEMICAL-REACTION FROM 444 TO 2400 K
BLAIS, NC
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
BLAIS, NC
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
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
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(09)
: 1094
-
1096
[5]
QUASICLASSICAL TRAJECTORY (AND VARIATIONAL TRANSITION-STATE THEORY) STUDY OF THE RATES AND TEMPERATURE-DEPENDENT ACTIVATION-ENERGIES OF THE REACTIONS MU+H2 (COMPLETELY THERMAL) AND H,D, AND MU+H2 (V=0,J=2)
BLAIS, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
BLAIS, NC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
TRUHLAR, DG
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
GARRETT, BC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(05)
: 2363
-
2367
[6]
PRODUCT STATE DISTRIBUTIONS FOR INELASTIC AND REACTIVE H + D-2 COLLISIONS AS FUNCTIONS OF COLLISION ENERGY
BLAIS, NC
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
BLAIS, NC
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 CHEMICAL PHYSICS,
1985,
83
(05)
: 2201
-
2206
[7]
THE H-3 POTENTIAL SURFACE REVISITED
BLOMBERG, MRA
论文数:
0
引用数:
0
h-index:
0
BLOMBERG, MRA
LIU, B
论文数:
0
引用数:
0
h-index:
0
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 1050
-
1051
[8]
KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS
BONDI, DK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
BONDI, DK
CLARY, DC
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
CLARY, DC
CONNOR, JNL
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
CONNOR, JNL
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
GARRETT, BC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(10)
: 4986
-
4995
[9]
REDUCED DIMENSIONALITY QUANTUM RATE CONSTANTS FOR THE D+H-2(V=0) AND D+H-2(V=1) REACTIONS ON THE LSTH SURFACE
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
BOWMAN, JM
LEE, KT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
LEE, KT
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
WALKER, RB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(08)
: 3742
-
3745
[10]
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
←
1
2
3
4
5
6
→
共 56 条
[1]
INTEGRAL AND STATE-TO-STATE CROSS-SECTIONS FOR THE REACTION D+H2(NU-I)-]HD(NU-F)+H - A QUANTUM-MECHANICAL STUDY WITHIN THE INFINITE-ORDER SUDDEN APPROXIMATION
ABUSALBI, N
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
ABUSALBI, N
KOURI, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
KOURI, DJ
SHIMA, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
SHIMA, Y
BAER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77004
BAER, M
[J].
CHEMICAL PHYSICS LETTERS,
1984,
105
(05)
: 472
-
476
[2]
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
[3]
Blais N. C., 1981, POTENTIAL ENERGY SUR, P431
[4]
DYNAMICAL CALCULATION OF THE TEMPERATURE-DEPENDENCE OF THE ACTIVATION-ENERGY FOR A CHEMICAL-REACTION FROM 444 TO 2400 K
BLAIS, NC
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
BLAIS, NC
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
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
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(09)
: 1094
-
1096
[5]
QUASICLASSICAL TRAJECTORY (AND VARIATIONAL TRANSITION-STATE THEORY) STUDY OF THE RATES AND TEMPERATURE-DEPENDENT ACTIVATION-ENERGIES OF THE REACTIONS MU+H2 (COMPLETELY THERMAL) AND H,D, AND MU+H2 (V=0,J=2)
BLAIS, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
BLAIS, NC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
TRUHLAR, DG
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
GARRETT, BC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(05)
: 2363
-
2367
[6]
PRODUCT STATE DISTRIBUTIONS FOR INELASTIC AND REACTIVE H + D-2 COLLISIONS AS FUNCTIONS OF COLLISION ENERGY
BLAIS, NC
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
BLAIS, NC
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 CHEMICAL PHYSICS,
1985,
83
(05)
: 2201
-
2206
[7]
THE H-3 POTENTIAL SURFACE REVISITED
BLOMBERG, MRA
论文数:
0
引用数:
0
h-index:
0
BLOMBERG, MRA
LIU, B
论文数:
0
引用数:
0
h-index:
0
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 1050
-
1051
[8]
KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS
BONDI, DK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
BONDI, DK
CLARY, DC
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
CLARY, DC
CONNOR, JNL
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
CONNOR, JNL
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
GARRETT, BC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(10)
: 4986
-
4995
[9]
REDUCED DIMENSIONALITY QUANTUM RATE CONSTANTS FOR THE D+H-2(V=0) AND D+H-2(V=1) REACTIONS ON THE LSTH SURFACE
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
BOWMAN, JM
LEE, KT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
LEE, KT
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
WALKER, RB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(08)
: 3742
-
3745
[10]
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
←
1
2
3
4
5
6
→