【摘 要】
：
The molecular intrinsic characteristic contour (MICC) is defined based on the classical turning point of electron movement in a molecule. Three typical organic
【机 构】
：
Department of Chemistry
论文部分内容阅读
The molecular intrinsic characteristic contour (MICC) is defined based on the classical turning point of electron movement in a molecule. Three typical organic molecules, I.e. Methane, methanol and formic acid, were employed as examples for detailed introduction of our method. Investigations on the cross-sections of MICC provide important information about atomic size changing in the process of forming molecules. The electron density distributions on the MICCs of these molecules were calculated and shown for the first time. Results showed that the electron density distribution on the MICC correlates closely with molecular chemical properties, and it provides a new insight into molecular boundary.
其他文献
Electrodeposition technique was used to coat calcium phosphate on carbon fiber which can be used to reinforce hydroxyapatite. The differences between fibers tre
In this paper, for the measured surface with the characteristics of continuous radiation, we put forward the general model of the spectral emissivity with non-
A kind of 2-dimensional neural network model with delay is considered. By analyzing the distribution of the roots of the characteristic equation associated with
The electric characteristics of Ge quantum dot grown by molecular beam epitaxy in Si matrix were investigated by admittance spectroscopy and deep level transien
The fluid flow induced by light-density, low-stiffness structures was treated as inviscid, incompressible irrotational and steady plane flow. On the basis of th
In order to overcome the defects of air-agitated seed precipitation, such as scaring, liquid short-circuiting, the three-dimension flow fields with different st
Upon the study of small-molecules binding to proteins, the traditional methods for calculating dissociation constants (Kd and Ki) have shortcomings in dealing w
The problem of spherical cavitated bifurcation was examined for a class of incompressible generalized neo-Hookean materials, in which the materials may be viewe
Anion starch nanoparticle (StNP) with a diameter of 50 nm was prepared in water-in-oil microemulsion, with soluble starch as raw materials and POCl3 as crosslin
评述两种不同的多阶段任务系统可靠性分析方法:多阶段任务系统的双值决策图组合式方法和马尔科夫链方法.如果多阶段任务系统的每一阶段是静态的,最好采用组合式方法解决;如果