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THE ORIGINS OF THE DIFFERENT BONDING FEATURES IN SIH5- AND CH5- - A VALENCE BOND CURVE CROSSING MODEL
被引:29
作者
:
SINI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,UA 506,CHIM THEOR LAB,BAT 490,F-91405 ORSAY,FRANCE
SINI, G
HIBERTY, PC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,UA 506,CHIM THEOR LAB,BAT 490,F-91405 ORSAY,FRANCE
HIBERTY, PC
SHAIK, SS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,UA 506,CHIM THEOR LAB,BAT 490,F-91405 ORSAY,FRANCE
SHAIK, SS
机构
:
[1]
UNIV PARIS 11,CNRS,UA 506,CHIM THEOR LAB,BAT 490,F-91405 ORSAY,FRANCE
[2]
BEN GURION UNIV NEGEV,DEPT CHEM,BEERSHEBA,ISRAEL
来源
:
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS
|
1989年
/ 12期
关键词
:
D O I
:
10.1039/c39890000772
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:772 / 774
页数:3
相关论文
共 17 条
[1]
ALBRIGHT TA, 1985, ORBITAL INTERACTIONS, P18
[2]
MOLECULAR-ORBITAL DESCRIPTION OF SN2 REACTIONS AT SILICON CENTERS
[J].
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
BAYBUTT, P
.
MOLECULAR PHYSICS,
1975,
29
(02)
:389
-403
[3]
METHYL AND SILYL HALIDE RADICAL-ANIONS - AN ABINITIO STUDY
[J].
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1981,
(11)
:515
-516
[4]
COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS
[J].
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
DEDIEU, A
;
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
VEILLARD, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
:6730
-&
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
[J].
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
:3654
-3665
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS
[J].
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(10)
:2797
-2803
[7]
HYPERVALENT SILICON HYDRIDES - SIH5-
[J].
HAJDASZ, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
HAJDASZ, DJ
;
SQUIRES, RR
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
SQUIRES, RR
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(11)
:3139
-3140
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
:2257
-+
[9]
SOME ADVANTAGES OF THE VALENCE BOND METHOD FOR THE CALCULATION OF POTENTIAL SURFACES - SELECTION OF THE CONFIGURATIONS AND APPROXIMATE METHOD
[J].
HIBERTY, PC
论文数:
0
引用数:
0
h-index:
0
HIBERTY, PC
;
LEFOUR, JM
论文数:
0
引用数:
0
h-index:
0
LEFOUR, JM
.
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE,
1987,
84
(05)
:607
-614
[10]
THEORETICAL-STUDY OF SN2 REACTIONS - ABINITIO COMPUTATIONS ON HF AND CI LEVEL
[J].
KEIL, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
KEIL, F
;
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
AHLRICHS, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(16)
:4787
-4793
←
1
2
→
共 17 条
[1]
ALBRIGHT TA, 1985, ORBITAL INTERACTIONS, P18
[2]
MOLECULAR-ORBITAL DESCRIPTION OF SN2 REACTIONS AT SILICON CENTERS
[J].
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
BAYBUTT, P
.
MOLECULAR PHYSICS,
1975,
29
(02)
:389
-403
[3]
METHYL AND SILYL HALIDE RADICAL-ANIONS - AN ABINITIO STUDY
[J].
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1981,
(11)
:515
-516
[4]
COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS
[J].
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
DEDIEU, A
;
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
VEILLARD, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(19)
:6730
-&
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
[J].
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
:3654
-3665
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS
[J].
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(10)
:2797
-2803
[7]
HYPERVALENT SILICON HYDRIDES - SIH5-
[J].
HAJDASZ, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
HAJDASZ, DJ
;
SQUIRES, RR
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
SQUIRES, RR
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(11)
:3139
-3140
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
:2257
-+
[9]
SOME ADVANTAGES OF THE VALENCE BOND METHOD FOR THE CALCULATION OF POTENTIAL SURFACES - SELECTION OF THE CONFIGURATIONS AND APPROXIMATE METHOD
[J].
HIBERTY, PC
论文数:
0
引用数:
0
h-index:
0
HIBERTY, PC
;
LEFOUR, JM
论文数:
0
引用数:
0
h-index:
0
LEFOUR, JM
.
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE,
1987,
84
(05)
:607
-614
[10]
THEORETICAL-STUDY OF SN2 REACTIONS - ABINITIO COMPUTATIONS ON HF AND CI LEVEL
[J].
KEIL, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
KEIL, F
;
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM,D-7500 KARLSRUHE,FED REP GER
AHLRICHS, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(16)
:4787
-4793
←
1
2
→