Electron-density and electrostatic-potential features of orthorhombic chlorine trifluoride

被引：26

作者：

Shishkina, Anastasia V. ^{[1
]}

Stash, Adam I. ^{[1
,2
]}

Civalleri, Bartolomeo ^{[3
,4
]}

Ellern, Arkady ^{[5
]}

Tsirelson, Vladimir G. ^{[1
]}

机构：

[1] DI Mendeleev Univ Chem Technol Russia, Moscow 125047, Russia

[2] L Ya Karpov Inst Phys Chem, Moscow 103064, Russia

[3] Univ Torino, I-10125 Turin, Italy

[4] NIS Ctr Excellence, I-10125 Turin, Italy

[5] Iowa State Univ, Ames, IA 50011 USA

来源：

MENDELEEV COMMUNICATIONS | 2010年 / 20卷 / 03期

基金：

俄罗斯基础研究基金会;

关键词：

HARTREE-FOCK GRADIENTS; BONDED INTERACTIONS; WAVE-FUNCTIONS; ATOMS; MOLECULES; GEOMETRY; SYSTEMS;

D O I：

10.1016/j.mencom.2010.05.013

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The intermolecular interactions in solid CIF3 are analyzed in terms of the quantum theory of atoms in molecules and crystals using experimental and theoretical electron density.

引用

页码：161 / 164

页数：4

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