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 ...
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 ...
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...
Journal of Solid State ElectrochemistryGalova M, Orinakova R and Lux L, Distribution of charge in the process of coating Fe powder by electrolysis in fluidized beds. J Solid State Electrochem 2:2-6 (1998).Galova, M., Oriňakova, R. and Lux, L., "Distribution of Charge in the Process...
The evolution of the charge density distribution function is simulated for both the case of a uniformly charged sphere with zero initial conditions and for the case of a non-uniform charged sphere. For the case of a uniformly charged sphere the comparison of a numerical result and an exact ...
charge density distribution in organo-metal sulfides by means of 13c nmr and s2p esca chemical shifts.doi:10.1016/S0040-4039(01)85245-XS. PignataroL. LunazziC.A. BoicelliR. Di MarinoR. DanieliElsevier BVTetrahedron Letters
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
2) π-charge density distribution π电荷密度分布 1. The π-charge density distribution of 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...
where 𝑛𝑖ni is the electron density at the grid node 𝑖∈{1,…,𝐿}i∈{1,…,L}, 𝜓𝑎,𝑖ψa,i is the value of the eigenfunction 𝜓𝑎ψa at node i; 𝜀𝑎εa is the electron energy that corresponds to this eigenfunction; and Δ𝑉ΔV is the spatial volume per ...
191648.jpg 你好，这个计算时，选择的是density of states还是electron density difference ...