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MONTE-CARLO TRAJECTORY STUDY OF AR+H2 COLLISIONS - THERMALLY AVERAGED VIBRATIONAL TRANSITION RATES AT 4500-DEGREES-K
被引:26
作者
:
DUFF, JW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87545
DUFF, JW
BLAIS, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87545
BLAIS, NC
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87545
TRUHLAR, DG
机构
:
[1]
UNIV CALIF LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87545
[2]
UNIV MINNESOTA,DEPT CHEM,CHEM DYNAM LAB,MINNEAPOLIS,MN 55455
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1979年
/ 71卷
/ 11期
关键词
:
D O I
:
10.1063/1.438237
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
:
Quasiclassical trajectory calculations of vibrational transition rates in Ar+H2 collisions have been carried out. A realistic potential energy surface has been used, and the rates are averaged over rotational-translational distributions at 4500°K. The same transition rates are calculated by eight distorted-wave-based theories which have been used by others for various applications. The present calculations provide a critical test of these theories, especially for high vibrational quantum numbers where data have been scarce. We also discuss dissociation rates, the rotational component of vibrational energy transfer, and a surprisal analysis of the vibrational transition rates. © 1979 American Institute of Physics.
引用
收藏
页码:4304 / 4320
页数:17
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TRAJECTORY STUDIES OF ATOMIC RECOMBINATION REACTIONS .3. ENERGY-TRANSFER IN BROMINE INERT GAS SYSTEMS
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UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
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CLARKE JF, 1975, DYNAMICS RELAXING GA, pCH3
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MODIFIED STATISTICAL METHOD FOR INTERMOLECULAR POTENTIALS COMBINING RULES FOR HIGHER VANDERWAALS COEFFICIENTS
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UNIV CALIF,LOS ALAMOS SCI LAB,GRP T-6,LOS ALAMOS,NM 87544
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SCATTERING OF HIGH-VELOCITY NEUTRAL PARTICLES .16. AR-AR, AR-HE, AND AR-H2
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Department of Chemistry, University of Florida, Gainesville, FL
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JORDAN, JE
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Department of Chemistry, University of Florida, Gainesville, FL
JORDAN, JE
AMDUR, I
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0
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Department of Chemistry, University of Florida, Gainesville, FL
AMDUR, I
MASON, EA
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0
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0
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0
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Department of Chemistry, University of Florida, Gainesville, FL
MASON, EA
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EFFECT OF ROTATION ON COMPUTED THERMAL DISSOCIATION RATE OF H2
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[J].
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ABINITIO CALCULATION OF THE RATE OF VIBRATIONAL-RELAXATION AND THERMAL-DISSOCIATION OF HYDROGEN BY HELIUM AT HIGH-TEMPERATURES
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RAYNOR, S
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[J].
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VIBRATIONAL-RELAXATION OF H2 .1. EXPERIMENTAL MEASUREMENTS OF RATE OF RELAXATION BY H2, HE, NE, AR AND KR
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TEITELBAUM, H
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DOVE, JE
JONES, DG
论文数:
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h-index:
0
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UNIV TORONTO,LASH MILLER CHEM LABS,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
JONES, DG
TEITELBAUM, H
论文数:
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0
机构:
UNIV TORONTO,LASH MILLER CHEM LABS,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
TEITELBAUM, H
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1977,
81
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: 2564
-
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[30]
NUMERICAL CALCULATION OF VIBRATIONAL RELAXATION AND DISSOCIATION FOR A QUANTUM ANHARMONIC OSCILLATOR
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h-index:
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DOVE, JE
JONES, DG
论文数:
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引用数:
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JONES, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
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55
(04)
: 1531
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←
1
2
3
4
5
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8
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→
共 107 条
[21]
TRAJECTORY STUDIES OF ATOMIC RECOMBINATION REACTIONS .2. ENERGY-TRANSFER MECHANISM AND NONEQUILIBRIUM EFFECTS
CLARKE, AG
论文数:
0
引用数:
0
h-index:
0
CLARKE, AG
BURNS, G
论文数:
0
引用数:
0
h-index:
0
BURNS, G
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(09)
: 4636
-
&
[22]
TRAJECTORY STUDIES OF ATOMIC RECOMBINATION REACTIONS .3. ENERGY-TRANSFER IN BROMINE INERT GAS SYSTEMS
CLARKE, AG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
CLARKE, AG
BURNS, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
BURNS, G
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(05)
: 1908
-
1913
[23]
CLARKE JF, 1975, DYNAMICS RELAXING GA, pCH3
[24]
MODIFIED STATISTICAL METHOD FOR INTERMOLECULAR POTENTIALS COMBINING RULES FOR HIGHER VANDERWAALS COEFFICIENTS
COHEN, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,GRP T-6,LOS ALAMOS,NM 87544
UNIV CALIF,LOS ALAMOS SCI LAB,GRP T-6,LOS ALAMOS,NM 87544
COHEN, JS
PACK, RT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,GRP T-6,LOS ALAMOS,NM 87544
UNIV CALIF,LOS ALAMOS SCI LAB,GRP T-6,LOS ALAMOS,NM 87544
PACK, RT
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(06)
: 2372
-
2382
[25]
SCATTERING OF HIGH-VELOCITY NEUTRAL PARTICLES .16. AR-AR, AR-HE, AND AR-H2
COLGATE, SO
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Florida, Gainesville, FL
COLGATE, SO
JORDAN, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Florida, Gainesville, FL
JORDAN, JE
AMDUR, I
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Florida, Gainesville, FL
AMDUR, I
MASON, EA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Florida, Gainesville, FL
MASON, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(03)
: 968
-
&
[26]
EFFECT OF ROTATION ON COMPUTED THERMAL DISSOCIATION RATE OF H2
DOVE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO 181,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO 181,ONTARIO,CANADA
DOVE, JE
JONES, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO 181,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO 181,ONTARIO,CANADA
JONES, DG
[J].
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
: 134
-
136
[27]
ABINITIO CALCULATION OF THE RATE OF VIBRATIONAL-RELAXATION AND THERMAL-DISSOCIATION OF HYDROGEN BY HELIUM AT HIGH-TEMPERATURES
DOVE, JE
论文数:
0
引用数:
0
h-index:
0
DOVE, JE
RAYNOR, S
论文数:
0
引用数:
0
h-index:
0
RAYNOR, S
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 127
-
133
[28]
VIBRATIONAL-RELAXATION OF H2 .1. EXPERIMENTAL MEASUREMENTS OF RATE OF RELAXATION BY H2, HE, NE, AR AND KR
DOVE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
DOVE, JE
TEITELBAUM, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
TEITELBAUM, H
[J].
CHEMICAL PHYSICS,
1974,
6
(03)
: 431
-
444
[29]
MECHANISM OF VIBRATIONAL-RELAXATION OF MOLECULAR-HYDROGEN
DOVE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,LASH MILLER CHEM LABS,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
DOVE, JE
JONES, DG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,LASH MILLER CHEM LABS,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
JONES, DG
TEITELBAUM, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TORONTO,LASH MILLER CHEM LABS,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
TEITELBAUM, H
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1977,
81
(25)
: 2564
-
2572
[30]
NUMERICAL CALCULATION OF VIBRATIONAL RELAXATION AND DISSOCIATION FOR A QUANTUM ANHARMONIC OSCILLATOR
DOVE, JE
论文数:
0
引用数:
0
h-index:
0
DOVE, JE
JONES, DG
论文数:
0
引用数:
0
h-index:
0
JONES, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(04)
: 1531
-
&
←
1
2
3
4
5
6
7
8
9
10
→