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QUANTUM-MECHANICS OF ELECTRONIC-ROTATIONAL ENERGY-TRANSFER IN F(2P)+H2 COLLISIONS
被引:45
作者
:
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
WYATT, RE
[
1
]
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
WALKER, RB
[
1
]
机构
:
[1]
UNIV CALIF,LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1979年
/ 70卷
/ 03期
关键词
:
D O I
:
10.1063/1.437590
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
:
Theoretical study is made of electronic-rotational energy transfer in F(2P)+H2 three-dimensional collisions, with electronic matrix elements from DIM theory. The quantum close-coupled equations are integrated via the R-matrix propagation method. Inelastic quenching probabilities are emphasized, with and without simulated open reaction channels. Interweaving patterns in the transition probability for even and odd nuclear parity vs J (total angular momentum quantum number) are analyzed in terms of avoided crossing structure in the electrotational energy correlation diagrams. Localized regions where electronic quenching is dominant are identified in the correlation diagrams, and are confirmed in separate calculations which neglect interchannel mixing in local regions of the atom-molecule separation. Open reaction channels are found to have little influence on the quenching probabilities in these low energy (Etr < 0.15 eV) calculations. © 1979 American Institute of Physics.
引用
收藏
页码:1501 / 1510
页数:10
相关论文
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LARGE QUANTUM EFFECTS IN A MODEL ELECTRONICALLY NONADIABATIC REACTION - BA+N2O-]BAOSTAR+N2STAR
BOWMAN, JM
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IIT,DEPT CHEM,CHICAGO,IL 60616
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LEASURE, SC
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IIT,DEPT CHEM,CHICAGO,IL 60616
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0
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0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
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[J].
CHEMICAL PHYSICS LETTERS,
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376
[2]
FINE-STRUCTURE TRANSITIONS OF C+ IN COLLISIONS WITH H2
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SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
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0
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SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
DALGARNO, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
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: 4009
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4015
[3]
QUANTUM-MECHANICAL STUDY OF ELECTRONIC-TRANSITIONS IN COPLANAR ATOM-DIATOM COLLISIONS - QUENCHING OF FLUORINE BY H-2
DEVRIES, PL
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0
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0
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UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
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0
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0
h-index:
0
机构:
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
GEORGE, TF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(06)
: 2421
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2426
[4]
DEVRIES PL, 1976, CHEM PHYS LETT, V43, P391, DOI 10.1016/0009-2614(76)85327-4
[5]
QUANTUM-MECHANICAL THEORY OF A STRUCTURED ATOM-DIATOM COLLISION SYSTEM - A+BC(1-SIGMA)
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论文数:
0
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0
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UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
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GEORGE, TF
论文数:
0
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0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
GEORGE, TF
[J].
JOURNAL OF CHEMICAL PHYSICS,
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67
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: 1293
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1301
[6]
ASYMMETRIC TOP STATES FOR CHEMICAL-REACTIONS ANGULAR REPRESENTATIONS, AVOIDED CROSSINGS, AND BIFURCATION
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[J].
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31
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[7]
SEMICLASSICAL DYNAMICS ON MULTIPLE ELECTRONIC SURFACES - 3-DIMENSIONAL TREATMENT OF REACTIVE F+H2
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h-index:
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机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
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MOROKUMA, K
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[J].
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HOW MUCH DO MULTIPLE ELECTRONIC SURFACES INFLUENCE CHEMICAL REACTIVITY - F+H2 - CASE-STUDY
KOMORNICKI, A
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UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
GEORGE, TF
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0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
GEORGE, TF
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
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1976,
65
(10)
: 4312
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[9]
R MATRIX APPROACH TO SOLUTION OF COUPLED EQUATIONS FOR ATOM-MOLECULE REACTIVE SCATTERING
LIGHT, JC
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0
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UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
LIGHT, JC
WALKER, RB
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UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
WALKER, RB
[J].
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0
h-index:
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ALTENBERGSICZEK, A
[J].
CHEMICAL PHYSICS LETTERS,
1975,
30
(02)
: 195
-
199
←
1
2
3
4
→
共 32 条
[1]
LARGE QUANTUM EFFECTS IN A MODEL ELECTRONICALLY NONADIABATIC REACTION - BA+N2O-]BAOSTAR+N2STAR
BOWMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
BOWMAN, JM
LEASURE, SC
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
LEASURE, SC
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
机构:
IIT,DEPT CHEM,CHICAGO,IL 60616
KUPPERMANN, A
[J].
CHEMICAL PHYSICS LETTERS,
1976,
43
(02)
: 374
-
376
[2]
FINE-STRUCTURE TRANSITIONS OF C+ IN COLLISIONS WITH H2
CHU, S
论文数:
0
引用数:
0
h-index:
0
机构:
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
CHU, S
DALGARNO, A
论文数:
0
引用数:
0
h-index:
0
机构:
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
DALGARNO, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(10)
: 4009
-
4015
[3]
QUANTUM-MECHANICAL STUDY OF ELECTRONIC-TRANSITIONS IN COPLANAR ATOM-DIATOM COLLISIONS - QUENCHING OF FLUORINE BY H-2
DEVRIES, PL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
DEVRIES, PL
GEORGE, TF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA
GEORGE, TF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(06)
: 2421
-
2426
[4]
DEVRIES PL, 1976, CHEM PHYS LETT, V43, P391, DOI 10.1016/0009-2614(76)85327-4
[5]
QUANTUM-MECHANICAL THEORY OF A STRUCTURED ATOM-DIATOM COLLISION SYSTEM - A+BC(1-SIGMA)
DEVRIES, PL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
DEVRIES, PL
GEORGE, TF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
GEORGE, TF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(04)
: 1293
-
1301
[6]
ASYMMETRIC TOP STATES FOR CHEMICAL-REACTIONS ANGULAR REPRESENTATIONS, AVOIDED CROSSINGS, AND BIFURCATION
HARMS, SH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
HARMS, SH
ELKOWITZ, AB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
ELKOWITZ, AB
WYATT, RE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
WYATT, RE
[J].
MOLECULAR PHYSICS,
1976,
31
(01)
: 177
-
188
[7]
SEMICLASSICAL DYNAMICS ON MULTIPLE ELECTRONIC SURFACES - 3-DIMENSIONAL TREATMENT OF REACTIVE F+H2
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
GEORGE, TF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
GEORGE, TF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
67
(11)
: 5012
-
5020
[8]
HOW MUCH DO MULTIPLE ELECTRONIC SURFACES INFLUENCE CHEMICAL REACTIVITY - F+H2 - CASE-STUDY
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
GEORGE, TF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
GEORGE, TF
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 4312
-
4314
[9]
R MATRIX APPROACH TO SOLUTION OF COUPLED EQUATIONS FOR ATOM-MOLECULE REACTIVE SCATTERING
LIGHT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
LIGHT, JC
WALKER, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
WALKER, RB
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 4272
-
4282
[10]
PRACTICAL APPROXIMATION TO REACTION PROBABILITIES FROM SELECTED INITIAL QUANTUM STATES
LIGHT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
JAMES FRANCK INST,CHICAGO,IL 60637
LIGHT, JC
ALTENBERGSICZEK, A
论文数:
0
引用数:
0
h-index:
0
机构:
JAMES FRANCK INST,CHICAGO,IL 60637
ALTENBERGSICZEK, A
[J].
CHEMICAL PHYSICS LETTERS,
1975,
30
(02)
: 195
-
199
←
1
2
3
4
→