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A COMPARATIVE THEORETICAL-STUDY OF THE EFFECTS OF 1ST-ROW AND 2ND-ROW SUBSTITUENTS IN ALPHA-SUBSTITUTED CARBANIONS
被引:24
作者
:
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
BERNARDI, F
MANGINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
MANGINI, A
论文数:
引用数:
h-index:
机构:
TONACHINI, G
VIVARELLI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
VIVARELLI, P
机构
:
[1]
UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
[2]
UNIV TURIN,IST CHIM ORGAN,I-10124 TURIN,ITALY
[3]
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
来源
:
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
|
1985年
/ 01期
关键词
:
D O I
:
10.1039/p29850000111
中图分类号
:
O62 [有机化学];
学科分类号
:
070303 ;
081704 ;
摘要
:
引用
收藏
页码:111 / 114
页数:4
相关论文
共 24 条
[1]
IRRELEVANCE OF D-ORBITAL CONJUGATION .1. ALPHA-THIOCARBANION - COMPARATIVE QUANTUM CHEMICAL STUDY OF STATIC AND DYNAMIC PROPERTIES AND PROTON AFFINITIES OF CARBANIONS ADJACENT TO OXYGEN AND TO SULFUR
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BERNARDI, F
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
CSIZMADIA, IG
MANGINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
MANGINI, A
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
SCHLEGEL, HB
WHANGBO, MH
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WHANGBO, MH
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(08)
: 2209
-
2218
[2]
REGARDING MECHANISM OF C-H BOND ACIDIFICATION BY SULFUR
BORDEN, WT
论文数:
0
引用数:
0
h-index:
0
BORDEN, WT
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
ANDERSEN, NH
论文数:
0
引用数:
0
h-index:
0
ANDERSEN, NH
DENNISTON, AD
论文数:
0
引用数:
0
h-index:
0
DENNISTON, AD
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
EPIOTIS, ND
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(05)
: 1604
-
1605
[3]
EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
ANDRADE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
ANDRADE, JG
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5609
-
5612
[4]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[5]
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
-
+
[6]
HARTREE-FOCK STUDY OF METHYL ANION AND ITS INVERSION POTENTIAL SURFACE - USE OF AN AUGMENTED BASIS SET FOR THIS SPECIES
DUKE, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,ENGLAND
UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,ENGLAND
DUKE, AJ
[J].
CHEMICAL PHYSICS LETTERS,
1973,
21
(02)
: 275
-
282
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[8]
DUNNING TH, 1977, METHODS ELECTRONIC S, V3
[9]
THEORETICAL-ANALYSIS OF FACTORS DETERMINING CONFORMATIONS AND STABILITIES OF OXYCARBANIONS AND THIOCARBANIONS
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
EPIOTIS, ND
YATES, RL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
YATES, RL
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
BERNARDI, F
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(18)
: 5435
-
5439
[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
3
→
共 24 条
[1]
IRRELEVANCE OF D-ORBITAL CONJUGATION .1. ALPHA-THIOCARBANION - COMPARATIVE QUANTUM CHEMICAL STUDY OF STATIC AND DYNAMIC PROPERTIES AND PROTON AFFINITIES OF CARBANIONS ADJACENT TO OXYGEN AND TO SULFUR
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BERNARDI, F
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
CSIZMADIA, IG
MANGINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
MANGINI, A
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
SCHLEGEL, HB
WHANGBO, MH
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WHANGBO, MH
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(08)
: 2209
-
2218
[2]
REGARDING MECHANISM OF C-H BOND ACIDIFICATION BY SULFUR
BORDEN, WT
论文数:
0
引用数:
0
h-index:
0
BORDEN, WT
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
ANDERSEN, NH
论文数:
0
引用数:
0
h-index:
0
ANDERSEN, NH
DENNISTON, AD
论文数:
0
引用数:
0
h-index:
0
DENNISTON, AD
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
EPIOTIS, ND
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(05)
: 1604
-
1605
[3]
EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
ANDRADE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
ANDRADE, JG
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5609
-
5612
[4]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[5]
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
-
+
[6]
HARTREE-FOCK STUDY OF METHYL ANION AND ITS INVERSION POTENTIAL SURFACE - USE OF AN AUGMENTED BASIS SET FOR THIS SPECIES
DUKE, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,ENGLAND
UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,ENGLAND
DUKE, AJ
[J].
CHEMICAL PHYSICS LETTERS,
1973,
21
(02)
: 275
-
282
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[8]
DUNNING TH, 1977, METHODS ELECTRONIC S, V3
[9]
THEORETICAL-ANALYSIS OF FACTORS DETERMINING CONFORMATIONS AND STABILITIES OF OXYCARBANIONS AND THIOCARBANIONS
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
EPIOTIS, ND
YATES, RL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
YATES, RL
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
BERNARDI, F
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(18)
: 5435
-
5439
[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
3
→