Comment on "Ruling Out Any Electrophilicity Equalization Principle"

被引:18
作者
Chattaraj, Pratim Kumar [1 ]
Giri, Santanab
Duley, Soma
机构
[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
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
共 32 条
[1]  
[Anonymous], 1989, Density-functional theory of atoms and molecules
[2]   Local hardness equalization: Exploiting the ambiguity [J].
Ayers, Paul W. ;
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 ;
Golden, S ;
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 ;
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 ;
Chattaraj, PK ;
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 ;
Cedillo, A ;
Parr, RG .
CHEMICAL PHYSICS, 1996, 204 (2-3) :429-437
[7]   Electrophilicity Equalization Principle [J].
Chattaraj, Pratim Kumar ;
Giri, Santanab ;
Duley, Soma .
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2010, 1 (07) :1064-1067
[9]   Conceptual density functional theory [J].
Geerlings, P ;
De Proft, F ;
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. ;
Islam, Nazmul .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 111 (09) :1961-1969