The geometric structure and stability of(GaP)_n,(GaP)_n~+ and(GaP)_n~-(n=1～6) Clusters;

The geometric structure and stability of B_mP_n and B_mP_n~-(m+n≤5) clusters;

The geometric structure of carbon nanotubes (CNTs) is introduced,the symmetry of zigzag and armchair CNTs is analyzed and these symmetry elements are abstracted and summarized.

In this paper,choosing as the studied object,and using Hartree-Fock Theory and Density Founctional Theory,we optimized the geometry structure of the molecule and calculated the electronic structure of it.

The basic geometry structure,the vibration spectra and molecular orbital density of the C20 fullerene molecule have been studied.

The geometry and properties of three isomers of azobispyridine;

The geometry of LaNi_5 was optimized and the parameters and properties of the structure were given.

In this paper, the geometry, stability, binding energy and energy level distribution of small clusters of Ru2～8 are investigated by Density Functional Theory (DFT).

The geometric structures and magnetism of the three probable isomers for Ni_2Sn_ 17 ,Mn_2Sn_ 17 ,[Ni_2Sn_ 17 ] 4- and [Mn_2Sn_ 17 ] 2- have been studied using the generalized gradient approximation based on density functional theory.

The analytical results show that static coulomb function between electrification atoms has induced an aberrance of ion clusters ground state geometric structures and affected electric-optic characters of the clusters.

This paper analyzes the mutual transition relationships of the"trigonometric" law and the four rules of construction geometry conformation analysis, and gives some actual examples to illustrate the flexible applies of the"trigonometric" law in practical engineering s, calculation diagram analysis.