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APPLICATION OF SELF-CONSISTENT HMO THEORY TO HETERO-CONJUGATED MOLECULES
被引:23
作者
:
KAKITANI, T
论文数:
0
引用数:
0
h-index:
0
KAKITANI, T
KAKITANI, H
论文数:
0
引用数:
0
h-index:
0
KAKITANI, H
机构
:
来源
:
THEORETICA CHIMICA ACTA
|
1977年
/ 46卷
/ 04期
关键词
:
D O I
:
10.1007/BF00554512
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:259 / 275
页数:17
相关论文
共 88 条
[21]
GROUND STATES OF CONJUGATED MOLECULES .12. IMPROVED CALCULATIONS FOR COMPOUNDS CONTAINING NITROGEN OR OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
MORITA, T
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
MORITA, T
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(04)
: 796
-
&
[22]
PHOTOELECTRON SPECTRA OF MOLECULES .2. IONIZATION POTENTIALS OF AZABENZENES AND AZANAPHTHALENES
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
WORLEY, SD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
WORLEY, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(01)
: 263
-
&
[23]
GROUND-STATES OF MOLECULES .29. MINDO-3 CALCULATIONS OF COMPOUNDS CONTAINING THIRD ROW ELEMENTS
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
RAMSDEN, CA
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
RAMSDEN, CA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1311
-
1318
[24]
PHOTOELECTRON SPECTRA OF MOLECULES .I. IONIZATION POTENTIALS OF SOME ORGANIC MOLECULES AND THEIR INTERPRETATION
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
WORLEY, SD
论文数:
0
引用数:
0
h-index:
0
WORLEY, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(02)
: 654
-
+
[25]
GROUND STATES OF CONJUGATED MOLECULES .2. ALLOWANCE FOR MOLECULAR GEOMETRY
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
GLEICHER, GJ
论文数:
0
引用数:
0
h-index:
0
GLEICHER, GJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(04)
: 685
-
&
[26]
NITROGEN ANALOGS OF SESQUIFULVALENE .3. THEORETICAL CORRELATION OF EXCITED-STATE PROPERTIES
EVLETH, EM
论文数:
0
引用数:
0
h-index:
0
EVLETH, EM
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
BERSON, JA
MANATT, SL
论文数:
0
引用数:
0
h-index:
0
MANATT, SL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(13)
: 2908
-
&
[27]
QUANTUM-CHEMICAL STUDIES ON AROMATICITY OF CONJUGATED SYSTEMS - RE-EVALUATION OF THERMODYNAMICAL VALUE OF BETA AND CALCULATION OF HEAT OF ATOMIZATION OF POLYCYCLIC AROMATIC HYDROCARBONS BY IMPROVED HUCKEL-METHOD
FIGEYS, HP
论文数:
0
引用数:
0
h-index:
0
FIGEYS, HP
[J].
TETRAHEDRON,
1970,
26
(19)
: 4615
-
&
[28]
GEOMETRICAL STRUCTURES OF EXCITED-STATES OF CONJUGATED MOLECULES - BENZENE, NAPHTHALENE, AZULENE, AND HEPTALENE
FUJIMURA, Y
论文数:
0
引用数:
0
h-index:
0
FUJIMURA, Y
YAMAGUCH.H
论文数:
0
引用数:
0
h-index:
0
YAMAGUCH.H
NAKAJIMA, T
论文数:
0
引用数:
0
h-index:
0
NAKAJIMA, T
[J].
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN,
1972,
45
(02)
: 384
-
+
[29]
GAULTIER PJ, 1965, ACTA CRYSTALLOGR, V18, P179
[30]
CRYSTAL STRUCTURE OFTHYMINE MONOHYDRATE
GERDIL, R
论文数:
0
引用数:
0
h-index:
0
GERDIL, R
[J].
ACTA CRYSTALLOGRAPHICA,
1961,
14
(04):
: 333
-
&
←
1
2
3
4
5
6
7
8
9
→
共 88 条
[21]
GROUND STATES OF CONJUGATED MOLECULES .12. IMPROVED CALCULATIONS FOR COMPOUNDS CONTAINING NITROGEN OR OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
MORITA, T
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
MORITA, T
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(04)
: 796
-
&
[22]
PHOTOELECTRON SPECTRA OF MOLECULES .2. IONIZATION POTENTIALS OF AZABENZENES AND AZANAPHTHALENES
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
DEWAR, MJS
WORLEY, SD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Texas, Austin
WORLEY, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(01)
: 263
-
&
[23]
GROUND-STATES OF MOLECULES .29. MINDO-3 CALCULATIONS OF COMPOUNDS CONTAINING THIRD ROW ELEMENTS
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
RAMSDEN, CA
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
RAMSDEN, CA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1311
-
1318
[24]
PHOTOELECTRON SPECTRA OF MOLECULES .I. IONIZATION POTENTIALS OF SOME ORGANIC MOLECULES AND THEIR INTERPRETATION
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
WORLEY, SD
论文数:
0
引用数:
0
h-index:
0
WORLEY, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(02)
: 654
-
+
[25]
GROUND STATES OF CONJUGATED MOLECULES .2. ALLOWANCE FOR MOLECULAR GEOMETRY
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
GLEICHER, GJ
论文数:
0
引用数:
0
h-index:
0
GLEICHER, GJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(04)
: 685
-
&
[26]
NITROGEN ANALOGS OF SESQUIFULVALENE .3. THEORETICAL CORRELATION OF EXCITED-STATE PROPERTIES
EVLETH, EM
论文数:
0
引用数:
0
h-index:
0
EVLETH, EM
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
BERSON, JA
MANATT, SL
论文数:
0
引用数:
0
h-index:
0
MANATT, SL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(13)
: 2908
-
&
[27]
QUANTUM-CHEMICAL STUDIES ON AROMATICITY OF CONJUGATED SYSTEMS - RE-EVALUATION OF THERMODYNAMICAL VALUE OF BETA AND CALCULATION OF HEAT OF ATOMIZATION OF POLYCYCLIC AROMATIC HYDROCARBONS BY IMPROVED HUCKEL-METHOD
FIGEYS, HP
论文数:
0
引用数:
0
h-index:
0
FIGEYS, HP
[J].
TETRAHEDRON,
1970,
26
(19)
: 4615
-
&
[28]
GEOMETRICAL STRUCTURES OF EXCITED-STATES OF CONJUGATED MOLECULES - BENZENE, NAPHTHALENE, AZULENE, AND HEPTALENE
FUJIMURA, Y
论文数:
0
引用数:
0
h-index:
0
FUJIMURA, Y
YAMAGUCH.H
论文数:
0
引用数:
0
h-index:
0
YAMAGUCH.H
NAKAJIMA, T
论文数:
0
引用数:
0
h-index:
0
NAKAJIMA, T
[J].
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN,
1972,
45
(02)
: 384
-
+
[29]
GAULTIER PJ, 1965, ACTA CRYSTALLOGR, V18, P179
[30]
CRYSTAL STRUCTURE OFTHYMINE MONOHYDRATE
GERDIL, R
论文数:
0
引用数:
0
h-index:
0
GERDIL, R
[J].
ACTA CRYSTALLOGRAPHICA,
1961,
14
(04):
: 333
-
&
←
1
2
3
4
5
6
7
8
9
→