partial charge distribution就是Band decomposed charge density，http://blog.sina.com.cn/s/blog_...
partial charge distribution就是Band decomposed charge density，http://blog.sina.com.cn/s/blog_...
The electronic structure and partial charge of doxorubicin (DOX) in three different molecular environments—isolated, solvated, and intercalated in a DNA complex—are studied by first-principles density functional methods. It is shown that the addition of solvating water molecules to DOX, together ...
Limits of Partial Charges in Dipoles In my book it is written "Ends of dipole possesses partial charges. Partial charges are always less than the unit electronic charge (1.6×10−19 C)". Suppose in a double bond(two electron is shared by each atom) or triple bond(three electrons are...
The form of charge distribution at the dielectric electrode surface is found to significantly affect a number of important discharge parameters, such as the uniformity of the electric field, the charge density and its radial distribution within the gap, as well as the discharge propagation time ...
The form of charge distribution at the dielectric electrode surface is found to significantly affect a number of important discharge parameters, such as the uniformity of the electric field, the charge density and its radial distribution within the gap, as well as the discharge propagation time. ...
We investigate the differential cross sections of the elastic electron scattering from ~(12,16)O and ~(28,32)S by the relativistic partial-wave expansion method using the static charge density distribution from the self-consistent relativistic mean field model and also calculate the charge form fac...
In order to compute the impact of a finite source size on the Wigner function in the presence of defocus only, it suffices to incoherently sum the underlying coherent Wigner function over the transverse momentum distribution of the source ρSk(≅ effective source size) to obtain the ...
The simulated electric field distribution inside the void for each of the polymer materials at the respective PDIVs is modelled using COMSOL to validate the experimental results. Little work has correlated void PD characteristics with material degradation induced by PD across a range of different ...
Necessary conditions for the N‐representability of pair distribution functions A necessary condition for the N -representability of the electron pair density proposed by one of the authors (E. R. D.) is generalized. This shows a link ... PW Ayers,ER Davidson - 《International Journal of Qu...