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Comment on "Ruling Out Any Electrophilicity Equalization Principle"
被引:18
作者
:
Chattaraj, Pratim Kumar
论文数:
0
引用数:
0
h-index:
0
机构:
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Chattaraj, Pratim Kumar
[
1
]
Giri, Santanab
论文数:
0
引用数:
0
h-index:
0
机构:
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Giri, Santanab
Duley, Soma
论文数:
0
引用数:
0
h-index:
0
机构:
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Duley, Soma
机构
:
[1]
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
来源
:
JOURNAL OF PHYSICAL CHEMISTRY A
|
2012年
/ 116卷
/ 01期
关键词
:
GEOMETRIC MEAN PRINCIPLE;
SOFT ACIDS;
ELECTRONEGATIVITY;
HARDNESS;
DEPENDENCE;
D O I
:
10.1021/jp208541x
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
:
引用
收藏
页码:790 / 791
页数:2
相关论文
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[1]
[Anonymous], 1989, Density-functional theory of atoms and molecules
[2]
Local hardness equalization: Exploiting the ambiguity
[J].
Ayers, Paul W.
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McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
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;
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Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
Parr, Robert G.
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[3]
Generalizations of the Hohenberg-Kohn theorem: I. Legendre transform constructions of variational principles for density matrices and electron distribution functions
[J].
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McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
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McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
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Levy, M
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McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
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JOURNAL OF CHEMICAL PHYSICS,
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[4]
Variational principles for describing chemical reactions: The Fukui function and chemical hardness revisited
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Ayers, PW
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Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
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Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(09)
:2010
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[5]
Variation of the electrophilicity index along the reaction path
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Chamorro, E
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Chemical softness in model electronic systems: Dependence on temperature and chemical potential
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Chattaraj, PK
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204
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:429
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[7]
Electrophilicity Equalization Principle
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Chattaraj, Pratim Kumar
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Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Chattaraj, Pratim Kumar
;
Giri, Santanab
论文数:
0
引用数:
0
h-index:
0
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Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Giri, Santanab
;
Duley, Soma
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0
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0
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Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Duley, Soma
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JOURNAL OF PHYSICAL CHEMISTRY LETTERS,
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[8]
GEOMETRIC MEAN PRINCIPLE FOR HARDNESS EQUALIZATION - A COROLLARY OF SANDERSONS GEOMETRIC MEAN PRINCIPLE OF ELECTRONEGATIVITY EQUALIZATION
[J].
DATTA, D
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DATTA, D
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JOURNAL OF PHYSICAL CHEMISTRY,
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90
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:4216
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[9]
Conceptual density functional theory
[J].
Geerlings, P
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Vrij Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem, B-1050 Brussels, Belgium
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Vrij Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem, B-1050 Brussels, Belgium
De Proft, F
;
Langenaeker, W
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Vrij Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem, B-1050 Brussels, Belgium
Langenaeker, W
.
CHEMICAL REVIEWS,
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103
(05)
:1793
-1873
[10]
Whether There Is a Hardness Equalization Principle Analogous to the Electronegativity Equalization Principle-A Quest
[J].
Ghosh, Dulal C.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Ghosh, Dulal C.
;
Islam, Nazmul
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Islam, Nazmul
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
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←
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→
共 32 条
[1]
[Anonymous], 1989, Density-functional theory of atoms and molecules
[2]
Local hardness equalization: Exploiting the ambiguity
[J].
Ayers, Paul W.
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
Ayers, Paul W.
;
Parr, Robert G.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
Parr, Robert G.
.
JOURNAL OF CHEMICAL PHYSICS,
2008,
128
(18)
[3]
Generalizations of the Hohenberg-Kohn theorem: I. Legendre transform constructions of variational principles for density matrices and electron distribution functions
[J].
Ayers, PW
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
Ayers, PW
;
Golden, S
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
Golden, S
;
Levy, M
论文数:
0
引用数:
0
h-index:
0
机构:
McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
Levy, M
.
JOURNAL OF CHEMICAL PHYSICS,
2006,
124
(05)
[4]
Variational principles for describing chemical reactions: The Fukui function and chemical hardness revisited
[J].
Ayers, PW
论文数:
0
引用数:
0
h-index:
0
机构:
Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
Ayers, PW
;
Parr, RG
论文数:
0
引用数:
0
h-index:
0
机构:
Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
Parr, RG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(09)
:2010
-2018
[5]
Variation of the electrophilicity index along the reaction path
[J].
Chamorro, E
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Andres Bello, Fac Ecol & Recursos Nat, Dept Ciencias Quim, Santiago, Chile
Chamorro, E
;
Chattaraj, PK
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Andres Bello, Fac Ecol & Recursos Nat, Dept Ciencias Quim, Santiago, Chile
Chattaraj, PK
;
Fuentealba, P
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Andres Bello, Fac Ecol & Recursos Nat, Dept Ciencias Quim, Santiago, Chile
Fuentealba, P
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2003,
107
(36)
:7068
-7072
[6]
Chemical softness in model electronic systems: Dependence on temperature and chemical potential
[J].
Chattaraj, PK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27599
Chattaraj, PK
;
Cedillo, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27599
Cedillo, A
;
Parr, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27599
Parr, RG
.
CHEMICAL PHYSICS,
1996,
204
(2-3)
:429
-437
[7]
Electrophilicity Equalization Principle
[J].
Chattaraj, Pratim Kumar
论文数:
0
引用数:
0
h-index:
0
机构:
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Chattaraj, Pratim Kumar
;
Giri, Santanab
论文数:
0
引用数:
0
h-index:
0
机构:
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Giri, Santanab
;
Duley, Soma
论文数:
0
引用数:
0
h-index:
0
机构:
Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
Duley, Soma
.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS,
2010,
1
(07)
:1064
-1067
[8]
GEOMETRIC MEAN PRINCIPLE FOR HARDNESS EQUALIZATION - A COROLLARY OF SANDERSONS GEOMETRIC MEAN PRINCIPLE OF ELECTRONEGATIVITY EQUALIZATION
[J].
DATTA, D
论文数:
0
引用数:
0
h-index:
0
DATTA, D
.
JOURNAL OF PHYSICAL CHEMISTRY,
1986,
90
(17)
:4216
-4217
[9]
Conceptual density functional theory
[J].
Geerlings, P
论文数:
0
引用数:
0
h-index:
0
机构:
Vrij Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem, B-1050 Brussels, Belgium
Geerlings, P
;
De Proft, F
论文数:
0
引用数:
0
h-index:
0
机构:
Vrij Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem, B-1050 Brussels, Belgium
De Proft, F
;
Langenaeker, W
论文数:
0
引用数:
0
h-index:
0
机构:
Vrij Univ Brussel, Fac Wetenschappen, Eenheid Algemene Chem, B-1050 Brussels, Belgium
Langenaeker, W
.
CHEMICAL REVIEWS,
2003,
103
(05)
:1793
-1873
[10]
Whether There Is a Hardness Equalization Principle Analogous to the Electronegativity Equalization Principle-A Quest
[J].
Ghosh, Dulal C.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Ghosh, Dulal C.
;
Islam, Nazmul
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Univ Kalyani, Dept Chem, Kalyani 741235, W Bengal, India
Islam, Nazmul
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
2011,
111
(09)
:1961
-1969
←
1
2
3
4
→