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
收藏
页码：161 / 164
页数：4
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