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VINYLIDENE - POTENTIAL-ENERGY SURFACE AND UNIMOLECULAR REACTION DYNAMICS
被引:195
作者
:
CARRINGTON, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
CARRINGTON, T
[
1
]
HUBBARD, LM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
HUBBARD, LM
[
1
]
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
SCHAEFER, HF
[
1
]
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
MILLER, WH
[
1
]
机构
:
[1]
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1984年
/ 80卷
/ 09期
关键词
:
D O I
:
10.1063/1.447266
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:4347 / 4354
页数:8
相关论文
共 39 条
[1]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
;
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
;
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
;
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
;
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
:4652
-4653
[2]
LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
;
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
;
SAXE, P
论文数:
0
引用数:
0
h-index:
0
SAXE, P
;
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
.
PHYSICA SCRIPTA,
1980,
21
(3-4)
:312
-322
[3]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
:5092
-5106
[4]
OBSERVATION OF X1A1 VINYLIDENE BY PHOTOELECTRON-SPECTROSCOPY OF THE C2H2-ION
[J].
BURNETT, SM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
BURNETT, SM
;
STEVENS, AE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
STEVENS, AE
;
FEIGERLE, CS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
FEIGERLE, CS
;
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LINEBERGER, WC
.
CHEMICAL PHYSICS LETTERS,
1983,
100
(02)
:124
-128
[5]
APPLICATIONS OF A SIMPLE DYNAMICAL MODEL TO THE REACTION-PATH HAMILTONIAN - TUNNELING CORRECTIONS TO RATE CONSTANTS, PRODUCT STATE DISTRIBUTIONS, LINE WIDTHS OF LOCAL MODE OVERTONES, AND MODE SPECIFICITY IN UNIMOLECULAR DECOMPOSITION
[J].
CERJAN, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
CERJAN, CJ
;
SHI, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
SHI, S
;
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
MILLER, WH
.
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(12)
:2244
-2251
[6]
Davidson E., 1974, WORLD QUANTUM CHEM, P17
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[8]
VINYLIDENE-ACETYLENE REARRANGEMENT - SELF-CONSISTENT ELECTRON PAIRS STUDY OF A MODEL UNIMOLECULAR REACTION
[J].
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
DYKSTRA, CE
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(05)
:1378
-1382
[9]
A UNIFIED THEORY OF NUCLEAR REACTIONS .2.
[J].
FESHBACH, H
论文数:
0
引用数:
0
h-index:
0
FESHBACH, H
.
ANNALS OF PHYSICS,
1962,
19
(02)
:287
-313
[10]
UNIFIED THEORY OF NUCLEAR REACTIONS
[J].
FESHBACH, H
论文数:
0
引用数:
0
h-index:
0
FESHBACH, H
.
ANNALS OF PHYSICS,
1958,
5
(04)
:357
-390
←
1
2
3
4
→
共 39 条
[1]
ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
BROOKS, BR
;
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
LAIDIG, WD
;
SAXE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SAXE, P
;
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
GODDARD, JD
;
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
YAMAGUCHI, Y
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(08)
:4652
-4653
[2]
LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
;
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
;
SAXE, P
论文数:
0
引用数:
0
h-index:
0
SAXE, P
;
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
.
PHYSICA SCRIPTA,
1980,
21
(3-4)
:312
-322
[3]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
[J].
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
:5092
-5106
[4]
OBSERVATION OF X1A1 VINYLIDENE BY PHOTOELECTRON-SPECTROSCOPY OF THE C2H2-ION
[J].
BURNETT, SM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
BURNETT, SM
;
STEVENS, AE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
STEVENS, AE
;
FEIGERLE, CS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
FEIGERLE, CS
;
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
UNIV COLORADO,NBS,JOINT INST LAB ASTROPHYS,BOULDER,CO 80302
LINEBERGER, WC
.
CHEMICAL PHYSICS LETTERS,
1983,
100
(02)
:124
-128
[5]
APPLICATIONS OF A SIMPLE DYNAMICAL MODEL TO THE REACTION-PATH HAMILTONIAN - TUNNELING CORRECTIONS TO RATE CONSTANTS, PRODUCT STATE DISTRIBUTIONS, LINE WIDTHS OF LOCAL MODE OVERTONES, AND MODE SPECIFICITY IN UNIMOLECULAR DECOMPOSITION
[J].
CERJAN, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
CERJAN, CJ
;
SHI, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
SHI, S
;
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
MILLER, WH
.
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(12)
:2244
-2251
[6]
Davidson E., 1974, WORLD QUANTUM CHEM, P17
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[8]
VINYLIDENE-ACETYLENE REARRANGEMENT - SELF-CONSISTENT ELECTRON PAIRS STUDY OF A MODEL UNIMOLECULAR REACTION
[J].
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
DYKSTRA, CE
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(05)
:1378
-1382
[9]
A UNIFIED THEORY OF NUCLEAR REACTIONS .2.
[J].
FESHBACH, H
论文数:
0
引用数:
0
h-index:
0
FESHBACH, H
.
ANNALS OF PHYSICS,
1962,
19
(02)
:287
-313
[10]
UNIFIED THEORY OF NUCLEAR REACTIONS
[J].
FESHBACH, H
论文数:
0
引用数:
0
h-index:
0
FESHBACH, H
.
ANNALS OF PHYSICS,
1958,
5
(04)
:357
-390
←
1
2
3
4
→