Dependence of energies on the bond lengths in molecules and crystals

作     者：Batsanov, S. S. 

作者机构：High Dynam Pressure Ctr Moscow Russia 

出 版 物：《JOURNAL OF STRUCTURAL CHEMISTRY》 (结构化学杂志)

年 卷 期：2008年第49卷第2期

页      面：296-303页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

主　　题：molecule crystals binding energy interatomic distance force constant elasticity modulus structure inheritance 

摘      要：The dependence of the binding energies in molecules and crystals on the interatomic distances near the equilibrium position was established in the framework of the Mie equation using the force constants of molecules and the elasticity moduli of solids. To evaluate the repulsion forces, we used the Morse function for molecules and the Born-Lande approach for ionic crystals.