学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
COMPARATIVE-STUDY OF H+ AND LI+ INTERACTIONS WITH OXYGEN BASES
被引:9
作者
:
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
DELBENE, JE
机构
:
[1]
Department of Chemistry, Youngstown State University, Youngstown
来源
:
CHEMICAL PHYSICS LETTERS
|
1979年
/ 64卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(79)80501-1
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
:
Ab initio SCF calculations have been performed to investigate the structural and electronic features of the interactions of H+ and Li+ with the oxygen bases H2CO and OH-. The data indicate that the OH interactions are primarily covalent while the LiO interactions are primarily electrostatic, although the LiO interaction in LiOH has considerable covalent character. © 1979.
引用
收藏
页码:227 / 229
页数:3
相关论文
共 21 条
[1]
QUANTITATIVE PROTON AFFINITIES, IONIZATION-POTENTIALS, AND HYDROGEN AFFINITIES OF ALKYLAMINES
AUE, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
AUE, DH
WEBB, HM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
WEBB, HM
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
BOWERS, MT
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(02)
: 311
-
317
[2]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(03)
: 1077
-
&
[3]
MOLECULAR-ORBITAL STUDY OF PROTONATION .5. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS R2COH+
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
DELBENE, JE
RADOVICK, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
RADOVICK, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(22)
: 6936
-
6941
[4]
MOLECULAR-ORBITAL STUDY OF PROTONATION .3. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS RCHOH+
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(06)
: 1673
-
1679
[5]
MOLECULAR-ORBITAL STUDY OF LITHIUM ION ASSOCIATION WITH BASES .1. CARBONYL BASES R2CO
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
DELBENE, JE
[J].
CHEMICAL PHYSICS,
1979,
40
(03)
: 329
-
335
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
DILL, JD
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(07)
: 2921
-
2923
[7]
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
-
+
[8]
EDMISTON C, 1965, J CHEM PHYS, V43, P97
[9]
FACTORS DETERMINING NUCLEOPHILIC REACTIVITIES
EDWARDS, JO
论文数:
0
引用数:
0
h-index:
0
EDWARDS, JO
PEARSON, RG
论文数:
0
引用数:
0
h-index:
0
PEARSON, RG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1962,
84
(01)
: 16
-
&
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
←
1
2
3
→
共 21 条
[1]
QUANTITATIVE PROTON AFFINITIES, IONIZATION-POTENTIALS, AND HYDROGEN AFFINITIES OF ALKYLAMINES
AUE, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
AUE, DH
WEBB, HM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
WEBB, HM
BOWERS, MT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
UNIV CALIF, DEPT CHEM, SANTA BARBARA, CA 93106 USA
BOWERS, MT
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(02)
: 311
-
317
[2]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
POPKIE, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(03)
: 1077
-
&
[3]
MOLECULAR-ORBITAL STUDY OF PROTONATION .5. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS R2COH+
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
DELBENE, JE
RADOVICK, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
RADOVICK, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(22)
: 6936
-
6941
[4]
MOLECULAR-ORBITAL STUDY OF PROTONATION .3. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS RCHOH+
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(06)
: 1673
-
1679
[5]
MOLECULAR-ORBITAL STUDY OF LITHIUM ION ASSOCIATION WITH BASES .1. CARBONYL BASES R2CO
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Youngstown State University, Youngstown
DELBENE, JE
[J].
CHEMICAL PHYSICS,
1979,
40
(03)
: 329
-
335
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
DILL, JD
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(07)
: 2921
-
2923
[7]
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
-
+
[8]
EDMISTON C, 1965, J CHEM PHYS, V43, P97
[9]
FACTORS DETERMINING NUCLEOPHILIC REACTIVITIES
EDWARDS, JO
论文数:
0
引用数:
0
h-index:
0
EDWARDS, JO
PEARSON, RG
论文数:
0
引用数:
0
h-index:
0
PEARSON, RG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1962,
84
(01)
: 16
-
&
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
←
1
2
3
→