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PROPERTIES OF VARIATIONAL TRANSITION-STATES FOR ASSOCIATION REACTIONS
被引:41
作者
:
HASE, WL
论文数:
0
引用数:
0
h-index:
0
HASE, WL
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1987年
/ 139卷
/ 05期
关键词
:
D O I
:
10.1016/0009-2614(87)80579-1
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:389 / 394
页数:6
相关论文
共 34 条
[1]
MULTIPLE TRANSITION-STATES IN UNIMOLECULAR REACTIONS - A TRANSITION-STATE SWITCHING MODEL - APPLICATION TO THE C4H8+ SYSTEM
[J].
CHESNAVICH, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
CHESNAVICH, WJ
;
BASS, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
BASS, L
;
SU, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
SU, T
;
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
BOWERS, MT
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(04)
:2228
-2246
[2]
MULTIPLE TRANSITION-STATES IN UNIMOLECULAR REACTIONS
[J].
CHESNAVICH, WJ
论文数:
0
引用数:
0
h-index:
0
CHESNAVICH, WJ
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(05)
:2615
-2619
[3]
COLLISIONS IN A NON-CENTRAL FIELD - VARIATIONAL AND TRAJECTORY INVESTIGATION OF ION-DIPOLE CAPTURE
[J].
CHESNAVICH, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
CHESNAVICH, WJ
;
SU, T
论文数:
0
引用数:
0
h-index:
0
机构:
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SU, T
;
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
BOWERS, MT
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(04)
:2641
-2655
[4]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(03)
:1077
-&
[5]
ABINITIO CALCULATIONS OF THE INTERACTION OF IONS WITH NEUTRAL LIGANDS - PAIR POTENTIALS FOR LI+-ETHER-SYSTEMS, LI+-THIOETHER-SYSTEMS, AND LI+-AMIDE-SYSTEMS
[J].
CORONGIU, G
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
CORONGIU, G
;
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
CLEMENTI, E
;
PRETSCH, E
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
PRETSCH, E
;
SIMON, W
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
SIMON, W
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(05)
:3096
-3102
[6]
FURTHER THEORETICAL-EXAMINATION OF THE F+H-2 ENTRANCE CHANNEL BARRIER
[J].
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
FRISCH, MJ
;
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
LIU, B
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
BINKLEY, JS
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
SCHAEFER, HF
;
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
MILLER, WH
.
CHEMICAL PHYSICS LETTERS,
1985,
114
(01)
:1
-5
[7]
GELLERT W, 1975, VNR CONCISE ENCY MAT
[8]
HARDING L, UNPUB
[9]
THEORETICAL CRITICAL CONFIGURATION FOR ETHANE DECOMPOSITION AND METHYL RADICAL RECOMBINATION
[J].
HASE, WL
论文数:
0
引用数:
0
h-index:
0
HASE, WL
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(02)
:730
-&
[10]
THERMAL RATE-CONSTANT FOR H+CH3-]CH4 RECOMBINATION - COMPARISON OF QUASICLASSICAL TRAJECTORY AND VARIATIONAL TRANSITION-STATE THEORY
[J].
HASE, WL
论文数:
0
引用数:
0
h-index:
0
HASE, WL
;
DUCHOVIC, RJ
论文数:
0
引用数:
0
h-index:
0
DUCHOVIC, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(07)
:3448
-3453
←
1
2
3
4
→
共 34 条
[1]
MULTIPLE TRANSITION-STATES IN UNIMOLECULAR REACTIONS - A TRANSITION-STATE SWITCHING MODEL - APPLICATION TO THE C4H8+ SYSTEM
[J].
CHESNAVICH, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
CHESNAVICH, WJ
;
BASS, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
BASS, L
;
SU, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
SU, T
;
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
BOWERS, MT
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(04)
:2228
-2246
[2]
MULTIPLE TRANSITION-STATES IN UNIMOLECULAR REACTIONS
[J].
CHESNAVICH, WJ
论文数:
0
引用数:
0
h-index:
0
CHESNAVICH, WJ
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(05)
:2615
-2619
[3]
COLLISIONS IN A NON-CENTRAL FIELD - VARIATIONAL AND TRAJECTORY INVESTIGATION OF ION-DIPOLE CAPTURE
[J].
CHESNAVICH, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
CHESNAVICH, WJ
;
SU, T
论文数:
0
引用数:
0
h-index:
0
机构:
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SU, T
;
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
SE MASSACHUSETTS UNIV, DEPT CHEM, N DARTMOUTH, MA 02747 USA
BOWERS, MT
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(04)
:2641
-2655
[4]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(03)
:1077
-&
[5]
ABINITIO CALCULATIONS OF THE INTERACTION OF IONS WITH NEUTRAL LIGANDS - PAIR POTENTIALS FOR LI+-ETHER-SYSTEMS, LI+-THIOETHER-SYSTEMS, AND LI+-AMIDE-SYSTEMS
[J].
CORONGIU, G
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
CORONGIU, G
;
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
CLEMENTI, E
;
PRETSCH, E
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
PRETSCH, E
;
SIMON, W
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND
SIMON, W
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(05)
:3096
-3102
[6]
FURTHER THEORETICAL-EXAMINATION OF THE F+H-2 ENTRANCE CHANNEL BARRIER
[J].
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
FRISCH, MJ
;
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
LIU, B
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
BINKLEY, JS
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
SCHAEFER, HF
;
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
MILLER, WH
.
CHEMICAL PHYSICS LETTERS,
1985,
114
(01)
:1
-5
[7]
GELLERT W, 1975, VNR CONCISE ENCY MAT
[8]
HARDING L, UNPUB
[9]
THEORETICAL CRITICAL CONFIGURATION FOR ETHANE DECOMPOSITION AND METHYL RADICAL RECOMBINATION
[J].
HASE, WL
论文数:
0
引用数:
0
h-index:
0
HASE, WL
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(02)
:730
-&
[10]
THERMAL RATE-CONSTANT FOR H+CH3-]CH4 RECOMBINATION - COMPARISON OF QUASICLASSICAL TRAJECTORY AND VARIATIONAL TRANSITION-STATE THEORY
[J].
HASE, WL
论文数:
0
引用数:
0
h-index:
0
HASE, WL
;
DUCHOVIC, RJ
论文数:
0
引用数:
0
h-index:
0
DUCHOVIC, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(07)
:3448
-3453
←
1
2
3
4
→