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ANALYTICAL FITTING OF POTENTIAL-ENERGY SURFACES FOR THE HXY SYSTEMS
被引:22
作者
:
LAST, I
论文数:
0
引用数:
0
h-index:
0
LAST, I
BAER, M
论文数:
0
引用数:
0
h-index:
0
BAER, M
机构
:
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1986年
/ 29卷
/ 05期
关键词
:
D O I
:
10.1002/qua.560290506
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:1067 / 1076
页数:10
相关论文
共 20 条
[1]
A QUASICLASSICAL TRAJECTORY STUDY OF THE HEAVY LIGHT HEAVY CL-HCL REACTION - OSCILLATING ENERGY-DEPENDENT CROSS-SECTIONS
BAER, M
论文数:
0
引用数:
0
h-index:
0
BAER, M
LAST, I
论文数:
0
引用数:
0
h-index:
0
LAST, I
[J].
CHEMICAL PHYSICS LETTERS,
1985,
119
(05)
: 393
-
396
[2]
BAER M, 1981, POTENTIAL ENERGY SUR, P519
[3]
NEW QUANTUM-DYNAMICAL APPROXIMATION FOR LIGHT-HEAVY-LIGHT CHEMICAL-REACTIONS IN 3 DIMENSIONS APPLICATION TO D+HC1(V=0,J)-]DC1(V'-LESS THAN OR EQUAL TO-1,J')+H
CLARY, DC
论文数:
0
引用数:
0
h-index:
0
CLARY, DC
[J].
MOLECULAR PHYSICS,
1981,
44
(05)
: 1083
-
1097
[4]
COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND QUANTUM SUDDEN CALCULATIONS OF 3-DIMENSIONAL RATE COEFFICIENTS FOR THE REACTIONS D(H)+BRH-]DBR(HBR)+H
CLARY, DC
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
CLARY, DC
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 CHEMICAL PHYSICS,
1983,
78
(02)
: 777
-
782
[5]
GARCIA E, 1984, MOL PHYS, V11, P1
[6]
VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING FOR A HEAVY LIGHT HEAVY REACTION USING AN ABINITIO POTENTIAL-ENERGY SURFACE - CL-37+H(D) CL-35-]H(D) CL-37+CL-35
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
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
TRUHLAR, DG
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
WAGNER, AF
DUNNING, TH
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0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
: 4400
-
4413
[7]
EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2)
KARPLUS, M
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0
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KARPLUS, M
SHARMA, RD
论文数:
0
引用数:
0
h-index:
0
SHARMA, RD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(09)
: 3259
-
&
[8]
DEUTERIUM-ISOTOPE EFFECT IN CHLORINE EXCHANGE BETWEEN HYDROGEN CHLORIDE + CHLORINE ATOMS . STUDY OF MODELS FOR TUNNEL EFFECT
KLEIN, FS
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0
引用数:
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KLEIN, FS
PERSKY, A
论文数:
0
引用数:
0
h-index:
0
PERSKY, A
WESTON, RE
论文数:
0
引用数:
0
h-index:
0
WESTON, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
41
(06)
: 1799
-
+
[9]
SYMMETRIC ATOM EXCHANGE-REACTION CL' + HCL - ARDUOUS TASK FOR THEORY AND EXPERIMENT
KNEBA, M
论文数:
0
引用数:
0
h-index:
0
KNEBA, M
WOLFRUM, J
论文数:
0
引用数:
0
h-index:
0
WOLFRUM, J
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 69
-
73
[10]
3-DIMENSIONAL DIM-3C POTENTIAL-ENERGY SURFACES FOR THE REACTIONS H+XY AND X+HY (X,Y=F,CL,BR,I)
LAST, I
论文数:
0
引用数:
0
h-index:
0
LAST, I
BAER, M
论文数:
0
引用数:
0
h-index:
0
BAER, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
: 3246
-
3252
←
1
2
→
共 20 条
[1]
A QUASICLASSICAL TRAJECTORY STUDY OF THE HEAVY LIGHT HEAVY CL-HCL REACTION - OSCILLATING ENERGY-DEPENDENT CROSS-SECTIONS
BAER, M
论文数:
0
引用数:
0
h-index:
0
BAER, M
LAST, I
论文数:
0
引用数:
0
h-index:
0
LAST, I
[J].
CHEMICAL PHYSICS LETTERS,
1985,
119
(05)
: 393
-
396
[2]
BAER M, 1981, POTENTIAL ENERGY SUR, P519
[3]
NEW QUANTUM-DYNAMICAL APPROXIMATION FOR LIGHT-HEAVY-LIGHT CHEMICAL-REACTIONS IN 3 DIMENSIONS APPLICATION TO D+HC1(V=0,J)-]DC1(V'-LESS THAN OR EQUAL TO-1,J')+H
CLARY, DC
论文数:
0
引用数:
0
h-index:
0
CLARY, DC
[J].
MOLECULAR PHYSICS,
1981,
44
(05)
: 1083
-
1097
[4]
COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND QUANTUM SUDDEN CALCULATIONS OF 3-DIMENSIONAL RATE COEFFICIENTS FOR THE REACTIONS D(H)+BRH-]DBR(HBR)+H
CLARY, DC
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
CLARY, DC
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 CHEMICAL PHYSICS,
1983,
78
(02)
: 777
-
782
[5]
GARCIA E, 1984, MOL PHYS, V11, P1
[6]
VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING FOR A HEAVY LIGHT HEAVY REACTION USING AN ABINITIO POTENTIAL-ENERGY SURFACE - CL-37+H(D) CL-35-]H(D) CL-37+CL-35
GARRETT, BC
论文数:
0
引用数:
0
h-index:
0
机构:
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
TRUHLAR, DG
WAGNER, AF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
WAGNER, AF
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
: 4400
-
4413
[7]
EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2)
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
SHARMA, RD
论文数:
0
引用数:
0
h-index:
0
SHARMA, RD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(09)
: 3259
-
&
[8]
DEUTERIUM-ISOTOPE EFFECT IN CHLORINE EXCHANGE BETWEEN HYDROGEN CHLORIDE + CHLORINE ATOMS . STUDY OF MODELS FOR TUNNEL EFFECT
KLEIN, FS
论文数:
0
引用数:
0
h-index:
0
KLEIN, FS
PERSKY, A
论文数:
0
引用数:
0
h-index:
0
PERSKY, A
WESTON, RE
论文数:
0
引用数:
0
h-index:
0
WESTON, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
41
(06)
: 1799
-
+
[9]
SYMMETRIC ATOM EXCHANGE-REACTION CL' + HCL - ARDUOUS TASK FOR THEORY AND EXPERIMENT
KNEBA, M
论文数:
0
引用数:
0
h-index:
0
KNEBA, M
WOLFRUM, J
论文数:
0
引用数:
0
h-index:
0
WOLFRUM, J
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(01)
: 69
-
73
[10]
3-DIMENSIONAL DIM-3C POTENTIAL-ENERGY SURFACES FOR THE REACTIONS H+XY AND X+HY (X,Y=F,CL,BR,I)
LAST, I
论文数:
0
引用数:
0
h-index:
0
LAST, I
BAER, M
论文数:
0
引用数:
0
h-index:
0
BAER, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
: 3246
-
3252
←
1
2
→