Anisotropy of the induced current density (ACID), a general method to quantify and visualize electronic delocalization

被引：1178

作者：

Geuenich, D ^{[1
]}

Hess, K ^{[1
]}

Köhler, F ^{[1
]}

Herges, R ^{[1
]}

机构：

[1] Univ Kiel, Inst Organ Chem, D-24118 Kiel, Germany

来源：

CHEMICAL REVIEWS | 2005年 / 105卷 / 10期

关键词：

D O I：

10.1021/cr0300901

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Anisotropy of the Induced Current Density (ACID) meets the conditions of the physical properties of current density, which is determined by the perturbation of the wave function by the magnetic field. ACID is derived from a quantum theoretical quantity and does not include empirical parameters that have to be fitted. It also compliments the electrostatic surface and electron density that provides information about the charge and steric interactions.

引用

页码：3758 / 3772

页数：15

共 205 条

[1] ROTATIONAL ISOMERISM .11. NUCLEAR MAGNETIC RESONANCE SPECTRA AND ROTATIONAL ISOMERISM OF 1,2-DIFLUORO-ETHANE AND 1,1,2-TRIFLUORO-ETHANE [J].