2) π-charge density distribution π电荷密度分布 1. Theπ-charge density distributionof fifteen 2,3, 7-trihydroxyfluorones has been calculated by HMO method. 应用Huckel分子轨道法计算了15种三羟基荧光酮试剂分子的π电荷密度分布,确定了三羟基荧光酮分子中3个羟基离解的顺序、金属离子的配合位置和螯合物...
Differential cross sections have been measured for elastic scattering of 227-MeV electrons by the nuclei /sup 48/Ti and /sup 50/Cr. The parameters of the Fermi charge density distribution and their difference for the nuclei /sup 48/Ti and /sup 50/Cr are obtained. The experimental results ar...
Calculations of the spatial distribution of charge density in the environment of DNA (p 2331-2352)A technique for modeling the structured environmental charge distribution about isolated polyions of arbitrary geometry is presented and applied to B-DNA. It describes the three-dimensional variation of ...
Calculations of the spatial distribution of charge density in the environment of DNA (p 2331-2352) A technique for modeling the structured environmental charge distribution about isolated polyions of arbitrary geometry is presented and applied to B-DNA. ... - 《Biopolymers》 被引量: 0发表: 1983...
网络电荷密度分布 网络释义 1. 电荷密度分布 π... ... ) π-charge densityπ -电荷密度 ) π-charge density distributionπ电荷密度分布) charge density 电荷密度 ... www.dictall.com|基于3个网页
We contrast two calculations of the charge density difference of 206Pb and 205Tl. In the simplest model this difference in charge density is due to the occupation of an additional 3s1/2 orbital in 206Pb. A standard mean-field calculation of the charge difference does not yield a satisfactory...
In β-Si 3N 4, the charge distribution appears to be confined to the Si 3N 4 molecular unit as a whole.doi:10.1016/0378-4363(88)90101-5Yong-nian XuW.Y. ChingElsevier B.V.Physica B+cY.N. Xu, W.Y. Ching, Comparison of charge-density distribution and electronic bond- ing in ...
” 你前天的帖子中，jpchou说的没错。其实你就是分析费米能级附近的能带对应的charge density就可以。
Before this recent flood of new observation and theory from many quarters, our concepts of nuclear size, shape and density distribution had changed little from the conclusions emerging as a result of the startling experiments performed by Lord Rutherford 1 shortly after the turn of the century. ...
The accurate charge density studies by the Maximum Entropy Method (MEM) utilizing X-ray diffraction is outlined with some examples. The basic concept of the method is stated in some details. In addition, some experimental charge densities are given to demonstrate the usefulness of the method, ...