Unicorns in the world of chemical bonding models

被引：174

作者：

Frenking, Gernot ^{[1
]}

Krapp, Andreas ^{[1
]}

机构：

[1] Univ Marburg, Fachbereich Chem, D-35043 Marburg, Germany

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 2007年 / 28卷 / 01期

关键词：

bonding model; energy decomposition analysis; electrostatic interactions; unicorn;

D O I：

10.1002/jcc.20543

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The appearance and the significance of heuristically developed bonding models are compared with the phenomenon of unicorns in mythical saga. It is argued that classical bonding models played an essential role for the development of the chemical science providing the language which is spoken in the territory of chemistry. The advent and the further development of quantum chemistry demands some restrictions and boundary conditions for classical chemical bonding models, which will continue to be integral parts of chemistry. (C) 2006 Wiley Periodicals, Inc.

引用

页码：15 / 24

页数：10

共 60 条

[21]

FRENKING G, 1998, AUTONOMY CHEM RELATI, P103

[22]

Frenking G., 2003, COORDIN CHEM REV, V55, P238

[23]

Fukui K., 1975, THEORY ORIENTATION S

[24]

Gilchrist T. L., 1971, ORGANIC REACTIONS OR

[25] Fault energy and exchange at the multibody problem. [J].

Heitler, W. .

ZEITSCHRIFT FUR PHYSIK, 1927, 46 (1-2) :47-72

[26] ELECTROSTATIC BINDING IN FIRST-ROW AH AND A2 DIATOMIC-MOLECULES [J].

HIRSHFELD, FL ;

RZOTKIEWICZ, S .

MOLECULAR PHYSICS, 1974, 27 (05) :1319-1343

[27] FRONTIER MOLECULAR-ORBITAL THEORY OF CYCLOADDITION REACTIONS [J].

HOUK, KN .

ACCOUNTS OF CHEMICAL RESEARCH, 1975, 8 (11) :361-369

[28] Quantum contributions to the benzene problem. [J].

Hueckel, Erich .

ZEITSCHRIFT FUR PHYSIK, 1931, 70 (3-4) :204-286

[29]

Kossel W, 1916, ANN PHYS-BERLIN, V49, P229

[30] The nature of the chemical bond revisited:: An energy-partitioning analysis of nonpolar bonds [J].

Kovács, A ;

Esterhuysen, C ;

Frenking, G .

CHEMISTRY-A EUROPEAN JOURNAL, 2005, 11 (06) :1813-1825

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