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SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .2. BENZENOID AROMATIC-HYDROCARBONS
被引:18
作者
:
EILERS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY COLL, CHEM DEPT, BROCKPORT, NY 14420 USA
EILERS, JE
OLEARY, B
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY COLL, CHEM DEPT, BROCKPORT, NY 14420 USA
OLEARY, B
LIBERLES, A
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY COLL, CHEM DEPT, BROCKPORT, NY 14420 USA
LIBERLES, A
WHITMAN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY COLL, CHEM DEPT, BROCKPORT, NY 14420 USA
WHITMAN, DR
机构
:
[1]
SUNY COLL, CHEM DEPT, BROCKPORT, NY 14420 USA
[2]
CASE WESTERN RESERVE UNIV, CHEM DEPT, CLEVELAND, OH 44106 USA
[3]
UNIV OXFORD, DEPT THEORET CHEM, OXFORD, ENGLAND
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1975年
/ 97卷
/ 21期
关键词
:
D O I
:
10.1021/ja00854a005
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:5979 / 5985
页数:7
相关论文
共 27 条
[1]
ALJOBOURY MI, 1961, J CHEM SOC, V4, P4434
[2]
MOLECULAR ORBITALS FOR LARGE MOLECULES .V. PARAMETERIZATION FROM SCF MATRICES OF RELATED SMALL MOLECULES
BOYD, DB
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Harvard University, Cambridge, MA
BOYD, DB
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Harvard University, Cambridge, MA
LIPSCOMB, WN
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(11)
: 4955
-
&
[3]
Ab initio SCF calculations for azulene and naphthalene
Buenker, R. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Nebraska, Lincoln
Buenker, R. J.
Peyerimhoff, S. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Nebraska, Lincoln
Peyerimhoff, S. D.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(01)
: 37
-
42
[4]
AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
WHITTEN, JL
论文数:
0
引用数:
0
h-index:
0
WHITTEN, JL
PETKE, JD
论文数:
0
引用数:
0
h-index:
0
PETKE, JD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
: 2261
-
&
[5]
CHRISTOFFERSEN RE, 1973, INT J QUANTUM CHEM, P169
[6]
COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1972,
69
(10)
: 2942
-
&
[7]
BARRIER TO INTERNAL ROTATION IN ETHANE
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
DAVIS, DR
论文数:
0
引用数:
0
h-index:
0
DAVIS, DR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(07)
: 2593
-
+
[8]
BOND LENGTHS IN NAPHTHALENE AND ANTHRACENE
COULSON, CA
论文数:
0
引用数:
0
h-index:
0
COULSON, CA
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
DAUDEL, R
ROBERTSON, JM
论文数:
0
引用数:
0
h-index:
0
ROBERTSON, JM
[J].
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1951,
207
(1090)
: 306
-
320
[9]
SIMULATED AB-INITIO MOLECULAR-ORBITAL (SAMO) METHOD FOR POLYMERS - POLYETHYLENE AND POLYENE
DUKE, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
DUKE, BJ
OLEARY, B
论文数:
0
引用数:
0
h-index:
0
机构:
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
OLEARY, B
[J].
CHEMICAL PHYSICS LETTERS,
1973,
20
(05)
: 459
-
463
[10]
SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .1. METHOD
EILERS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
EILERS, JE
WHITMAN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
WHITMAN, DR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(07)
: 2067
-
2073
←
1
2
3
→
共 27 条
[1]
ALJOBOURY MI, 1961, J CHEM SOC, V4, P4434
[2]
MOLECULAR ORBITALS FOR LARGE MOLECULES .V. PARAMETERIZATION FROM SCF MATRICES OF RELATED SMALL MOLECULES
BOYD, DB
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Harvard University, Cambridge, MA
BOYD, DB
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Harvard University, Cambridge, MA
LIPSCOMB, WN
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(11)
: 4955
-
&
[3]
Ab initio SCF calculations for azulene and naphthalene
Buenker, R. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Nebraska, Lincoln
Buenker, R. J.
Peyerimhoff, S. D.
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Nebraska, Lincoln
Peyerimhoff, S. D.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(01)
: 37
-
42
[4]
AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
WHITTEN, JL
论文数:
0
引用数:
0
h-index:
0
WHITTEN, JL
PETKE, JD
论文数:
0
引用数:
0
h-index:
0
PETKE, JD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
: 2261
-
&
[5]
CHRISTOFFERSEN RE, 1973, INT J QUANTUM CHEM, P169
[6]
COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
1972,
69
(10)
: 2942
-
&
[7]
BARRIER TO INTERNAL ROTATION IN ETHANE
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
DAVIS, DR
论文数:
0
引用数:
0
h-index:
0
DAVIS, DR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(07)
: 2593
-
+
[8]
BOND LENGTHS IN NAPHTHALENE AND ANTHRACENE
COULSON, CA
论文数:
0
引用数:
0
h-index:
0
COULSON, CA
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
DAUDEL, R
ROBERTSON, JM
论文数:
0
引用数:
0
h-index:
0
ROBERTSON, JM
[J].
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1951,
207
(1090)
: 306
-
320
[9]
SIMULATED AB-INITIO MOLECULAR-ORBITAL (SAMO) METHOD FOR POLYMERS - POLYETHYLENE AND POLYENE
DUKE, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
DUKE, BJ
OLEARY, B
论文数:
0
引用数:
0
h-index:
0
机构:
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
OXFORD UNIV, DEPT THEORET CHEM, OXFORD, ENGLAND
OLEARY, B
[J].
CHEMICAL PHYSICS LETTERS,
1973,
20
(05)
: 459
-
463
[10]
SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .1. METHOD
EILERS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
EILERS, JE
WHITMAN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
CASE WESTERN RESERVE UNIV,CHEM DEPT,CLEVELAND,OH 44105
WHITMAN, DR
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(07)
: 2067
-
2073
←
1
2
3
→