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IMPORTANCE OF ELECTRON CORRELATION IN COMPUTING MOLECULAR ENERGIES AND STRUCTURES OF ANNULENES
被引:74
作者
:
BAUMANN, H
论文数:
0
引用数:
0
h-index:
0
BAUMANN, H
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1978年
/ 100卷
/ 23期
关键词
:
D O I
:
10.1021/ja00491a012
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:7196 / 7201
页数:6
相关论文
共 44 条
[1]
CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
;
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
SPRAGUE, JT
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(12)
:3893
-3907
[2]
GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS
[J].
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
BAIRD, NC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
:1262
-&
[3]
BAUMAN H, 1976, 2ND INT C QUANT CHEM
[4]
BAUMANN H, UNPUBLISHED
[5]
GROUND-STATES OF MOLECULES .22. INCORPORATION OF PARTIAL CONFIGURATION INTERACTION IN MINDO/2 AND ITS APPLICATION TO BOND DISSOCIATION ENERGIES AND SIGMATROPIC REARRANGEMENTS
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(26)
:9107
-9112
[6]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1294
-1301
[7]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[8]
THEORY OF DOUBLE BOND FIXATION IN CONJUGATED HYDROCARBONS
[J].
BINSCH, G
论文数:
0
引用数:
0
h-index:
0
BINSCH, G
;
HEILBRON.E
论文数:
0
引用数:
0
h-index:
0
HEILBRON.E
;
MURRELL, JN
论文数:
0
引用数:
0
h-index:
0
MURRELL, JN
.
MOLECULAR PHYSICS,
1966,
11
(04)
:305
-&
[9]
DOUBLE-BOND FIXATION IN CONJUGATED PI-ELECTRON SYSTEMS .4. SELF-CONSISTENT FIELD FORMALISM AND APPLICATIONS TO ALTERNANT HYDROCARBONS
[J].
BINSCH, G
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Radiation Laboratory, University of Notre Dame, Notre Dame
BINSCH, G
;
TAMIR, I
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Radiation Laboratory, University of Notre Dame, Notre Dame
TAMIR, I
;
HILL, RD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Radiation Laboratory, University of Notre Dame, Notre Dame
HILL, RD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(10)
:2446
-&
[10]
ELECTRONIC STATES OF PERIMETER PI SYSTEMS .4. ELECTRONIC SPECTRUM OF [18]ANNULENE
[J].
BLATTMANN, HR
论文数:
0
引用数:
0
h-index:
0
BLATTMANN, HR
;
HEILBRONNER, E
论文数:
0
引用数:
0
h-index:
0
HEILBRONNER, E
;
WAGNIERE, G
论文数:
0
引用数:
0
h-index:
0
WAGNIERE, G
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(18)
:4786
-+
←
1
2
3
4
5
→
共 44 条
[1]
CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
;
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
SPRAGUE, JT
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(12)
:3893
-3907
[2]
GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS
[J].
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
BAIRD, NC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
:1262
-&
[3]
BAUMAN H, 1976, 2ND INT C QUANT CHEM
[4]
BAUMANN H, UNPUBLISHED
[5]
GROUND-STATES OF MOLECULES .22. INCORPORATION OF PARTIAL CONFIGURATION INTERACTION IN MINDO/2 AND ITS APPLICATION TO BOND DISSOCIATION ENERGIES AND SIGMATROPIC REARRANGEMENTS
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(26)
:9107
-9112
[6]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1294
-1301
[7]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[8]
THEORY OF DOUBLE BOND FIXATION IN CONJUGATED HYDROCARBONS
[J].
BINSCH, G
论文数:
0
引用数:
0
h-index:
0
BINSCH, G
;
HEILBRON.E
论文数:
0
引用数:
0
h-index:
0
HEILBRON.E
;
MURRELL, JN
论文数:
0
引用数:
0
h-index:
0
MURRELL, JN
.
MOLECULAR PHYSICS,
1966,
11
(04)
:305
-&
[9]
DOUBLE-BOND FIXATION IN CONJUGATED PI-ELECTRON SYSTEMS .4. SELF-CONSISTENT FIELD FORMALISM AND APPLICATIONS TO ALTERNANT HYDROCARBONS
[J].
BINSCH, G
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Radiation Laboratory, University of Notre Dame, Notre Dame
BINSCH, G
;
TAMIR, I
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Radiation Laboratory, University of Notre Dame, Notre Dame
TAMIR, I
;
HILL, RD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Radiation Laboratory, University of Notre Dame, Notre Dame
HILL, RD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(10)
:2446
-&
[10]
ELECTRONIC STATES OF PERIMETER PI SYSTEMS .4. ELECTRONIC SPECTRUM OF [18]ANNULENE
[J].
BLATTMANN, HR
论文数:
0
引用数:
0
h-index:
0
BLATTMANN, HR
;
HEILBRONNER, E
论文数:
0
引用数:
0
h-index:
0
HEILBRONNER, E
;
WAGNIERE, G
论文数:
0
引用数:
0
h-index:
0
WAGNIERE, G
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(18)
:4786
-+
←
1
2
3
4
5
→