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CLASSICAL TRAJECTORY CALCULATIONS FOR THE D+H-2(V=0,J=0-3)-]HD(V',J')+H REACTION - DIFFERENTIAL AND STATE-TO-STATE CROSS-SECTIONS IN THE 0.35-1.10 EV COLLISION ENERGY-RANGE
被引:9
作者
:
AOIZ, FJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN
AOIZ, FJ
CANDELA, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN
CANDELA, V
HERRERO, VJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN
HERRERO, VJ
RABANOS, VS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN
RABANOS, VS
机构
:
[1]
UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN
[2]
CSIC,INST ESTRUCT MAT,E-28006 MADRID,SPAIN
[3]
UNIV POLITECN MADRID,ESCUELA TECN SUPER INGN MONTES,DEPT QUIM GEN & BIOQUIM,E-28040 MADRID,SPAIN
来源
:
CHEMICAL PHYSICS LETTERS
|
1990年
/ 169卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(90)85195-I
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
:
Differential and total state-to-state cross sections for the D + H2 (v=0, j=0-3) → HD (v′, j′) + H reaction in the 0.35-1.10 eV collision energy range, have been calculated on the LSTH surface using the QCT method. The results are commented on and compared to recent quantum mechanical calculations and to experimental measurements. © 1990.
引用
收藏
页码:243 / 252
页数:10
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MONTE CARLO CALCULATIONS OF ENERGY PARTITIONING AND ISOTOPE EFFECTS IN REACTIONS OF FLUORINE ATOMS WITH H2, HD, AND D2
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[J].
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QUANTUM REACTIVE SCATTERING IN 3 DIMENSIONS USING HYPERSPHERICAL (APH) COORDINATES - THEORY
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QUANTUM REACTIVE SCATTERING IN 3 DIMENSIONS USING HYPERSPHERICAL (APH) COORDINATES - TESTS ON H+H-2 AND D+H-2
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UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
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[J].
CHEMICAL PHYSICS LETTERS,
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137
(06)
: 564
-
568
[34]
EXPERIMENTAL-STUDY OF THE DYNAMICS OF D+H-2 REACTIVE AND INELASTIC-COLLISIONS BELOW 1.0 EV RELATIVE ENERGY
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[J].
JOURNAL OF CHEMICAL PHYSICS,
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: 1600
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1609
[35]
Press W. H. S. A., 1988, NUMERICAL RECIPES
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EFFECT OF REAGENT ROTATION ON THE REACTION D+H2(NU=1)-]DH+H
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[J].
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EFFECT OF REAGENT ROTATION ON ELEMENTARY BIMOLECULAR EXCHANGE-REACTIONS
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[J].
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QUANTUM REACTIVE SCATTERING USING HYPERSPHERICAL COORDINATES - RESULTS FOR H+H2 AND CL+HCL
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[J].
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: 92
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[39]
QUANTUM-MECHANICAL REACTIVE SCATTERING FOR 3-DIMENSIONAL ATOM PLUS DIATOM SYSTEMS .2. ACCURATE CROSS-SECTIONS FOR H+H2
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机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
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KUPPERMANN, A
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CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
KUPPERMANN, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(11)
: 4668
-
4692
[40]
SCHATZ GC, 1975, J CHEM PHYS, V62, P2502
←
1
2
3
4
5
6
→
共 58 条
[31]
MONTE CARLO CALCULATIONS OF ENERGY PARTITIONING AND ISOTOPE EFFECTS IN REACTIONS OF FLUORINE ATOMS WITH H2, HD, AND D2
MUCKERMA.JT
论文数:
0
引用数:
0
h-index:
0
MUCKERMA.JT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(03)
: 1155
-
&
[32]
QUANTUM REACTIVE SCATTERING IN 3 DIMENSIONS USING HYPERSPHERICAL (APH) COORDINATES - THEORY
PACK, RT
论文数:
0
引用数:
0
h-index:
0
机构:
BRIGHAM YOUNG UNIV, PROVO, UT 84602 USA
BRIGHAM YOUNG UNIV, PROVO, UT 84602 USA
PACK, RT
PARKER, GA
论文数:
0
引用数:
0
h-index:
0
机构:
BRIGHAM YOUNG UNIV, PROVO, UT 84602 USA
BRIGHAM YOUNG UNIV, PROVO, UT 84602 USA
PARKER, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(07)
: 3888
-
3921
[33]
QUANTUM REACTIVE SCATTERING IN 3 DIMENSIONS USING HYPERSPHERICAL (APH) COORDINATES - TESTS ON H+H-2 AND D+H-2
PARKER, GA
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0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
PARKER, GA
PACK, RT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
PACK, RT
ARCHER, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
ARCHER, BJ
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET T12 MSJ569,LOS ALAMOS,NM 87545
WALKER, RB
[J].
CHEMICAL PHYSICS LETTERS,
1987,
137
(06)
: 564
-
568
[34]
EXPERIMENTAL-STUDY OF THE DYNAMICS OF D+H-2 REACTIVE AND INELASTIC-COLLISIONS BELOW 1.0 EV RELATIVE ENERGY
PHILLIPS, DL
论文数:
0
引用数:
0
h-index:
0
PHILLIPS, DL
LEVENE, HB
论文数:
0
引用数:
0
h-index:
0
LEVENE, HB
VALENTINI, JJ
论文数:
0
引用数:
0
h-index:
0
VALENTINI, JJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1989,
90
(03)
: 1600
-
1609
[35]
Press W. H. S. A., 1988, NUMERICAL RECIPES
[36]
EFFECT OF REAGENT ROTATION ON THE REACTION D+H2(NU=1)-]DH+H
SATHYAMURTHY, N
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER
MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER
SATHYAMURTHY, N
TOENNIES, JP
论文数:
0
引用数:
0
h-index:
0
机构:
MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER
MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER
TOENNIES, JP
[J].
CHEMICAL PHYSICS LETTERS,
1988,
143
(04)
: 323
-
328
[37]
EFFECT OF REAGENT ROTATION ON ELEMENTARY BIMOLECULAR EXCHANGE-REACTIONS
SATHYAMURTHY, N
论文数:
0
引用数:
0
h-index:
0
SATHYAMURTHY, N
[J].
CHEMICAL REVIEWS,
1983,
83
(06)
: 601
-
618
[38]
QUANTUM REACTIVE SCATTERING USING HYPERSPHERICAL COORDINATES - RESULTS FOR H+H2 AND CL+HCL
SCHATZ, GC
论文数:
0
引用数:
0
h-index:
0
SCHATZ, GC
[J].
CHEMICAL PHYSICS LETTERS,
1988,
150
(1-2)
: 92
-
98
[39]
QUANTUM-MECHANICAL REACTIVE SCATTERING FOR 3-DIMENSIONAL ATOM PLUS DIATOM SYSTEMS .2. ACCURATE CROSS-SECTIONS FOR H+H2
SCHATZ, GC
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
SCHATZ, GC
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
KUPPERMANN, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(11)
: 4668
-
4692
[40]
SCHATZ GC, 1975, J CHEM PHYS, V62, P2502
←
1
2
3
4
5
6
→