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AN MC-SCF STUDY OF THE THERMAL CYCLO-ADDITION OF 2 ETHYLENES
被引:116
作者
:
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
BERNARDI, F
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
BOTTONI, A
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
ROBB, MA
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
SCHLEGEL, HB
论文数:
引用数:
h-index:
机构:
TONACHINI, G
机构
:
[1]
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
[2]
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1985年
/ 107卷
/ 08期
关键词
:
D O I
:
10.1021/ja00294a009
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2260 / 2264
页数:5
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A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS
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[2]
AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE
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WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
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0
h-index:
0
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WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
SCHLEGEL, HB
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[J].
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FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
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[J].
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SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
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CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
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CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
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102
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: 939
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BINKLEY JS, 1981, QCPE, V13
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[7]
DOUBLEDAY C, 1984, J AM CHEM SOC, V106, P447, DOI 10.1021/ja00314a046
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ON THE STRUCTURE OF THE HYPOTHETICAL COMMON TETRAMETHYLENE BIRADICAL INTERMEDIATE
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SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DOUBLEDAY, C
MCIVER, JW
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SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
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HEGARTY, D
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机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
HEGARTY, D
ROBB, MA
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h-index:
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Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
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[J].
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: 1795
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SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
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机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
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h-index:
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机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
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h-index:
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机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
←
1
2
→
共 15 条
[1]
A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
IST CHIM ORGAN,BOLOGNA,ITALY
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
IST CHIM ORGAN,BOLOGNA,ITALY
ROBB, MA
[J].
MOLECULAR PHYSICS,
1983,
48
(06)
: 1345
-
1355
[2]
AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
ROBB, MA
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
SCHLEGEL, HB
论文数:
引用数:
h-index:
机构:
TONACHINI, G
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
: 1198
-
1202
[3]
FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
BERNARDI, F
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
ROBB, MA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(01)
: 54
-
58
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[5]
BINKLEY JS, 1981, QCPE, V13
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[7]
DOUBLEDAY C, 1984, J AM CHEM SOC, V106, P447, DOI 10.1021/ja00314a046
[8]
ON THE STRUCTURE OF THE HYPOTHETICAL COMMON TETRAMETHYLENE BIRADICAL INTERMEDIATE
DOUBLEDAY, C
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DOUBLEDAY, C
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
MCIVER, JW
PAGE, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
PAGE, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(13)
: 3768
-
3770
[9]
APPLICATION OF UNITARY GROUP-METHODS TO CONFIGURATION-INTERACTION CALCULATIONS
HEGARTY, D
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
HEGARTY, D
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
ROBB, MA
[J].
MOLECULAR PHYSICS,
1979,
38
(06)
: 1795
-
1812
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
←
1
2
→