نتایج جستجو برای: absolute electronegativity
تعداد نتایج: 89111 فیلتر نتایج به سال:
A simple relation between the optical electronegativity, energy gap, refractive index and electronic polarizability is given for ternary chalcopyrite semiconductors. Energy gap has been evaluated from the optical electronegativity whereas refractive index and electronic polarizability values have been evaluated from the energy gap by proposing a linear relation between them. The calculated valu...
BACKGROUND Low-density lipoprotein (LDL) plays a central role in cardiovascular disease (CVD) development. In LDL chromatographically resolved according to charge, the most electronegative subfraction-L5-is the only subfraction that induces atherogenic responses in cultured vascular cells. Furthermore, increasing evidence has shown that plasma L5 levels are elevated in individuals with high car...
Alkali metal dosing (AMD) has been widely used as a way to control doping without chemical substitution. This technique, in combination with angle resolved photoemission spectroscopy (ARPES), often provides an opportunity observe unexpected phenomena. However, the amount of transferred charge and corresponding change electronic structure vary significantly depending on material. Here, we report...
This study presents an alternative of the Electronegativity Equalization Method (EEM), where the usual Coulomb kernel has been transformed into a smooth function. The new framework, as the classical EEM, permits fast calculations of atomic charges in a given molecule for a small computational cost. The original EEM procedure needs to previously calibrate the different implied atomic hardness an...
We examined the interaction between several ligands and alkaline (M(+)) or lanthanide (Ln(3+)) ions using eta-chi diagrams. eta and chi represent absolute hardness and absolute electronegativity, respectively. Based on the diagrams, new double-stranded amino acid chelators (1) conjugated to Cat (catechol) were synthesized. They had two cavities coordinating hard metal ions, such as Li(+) and K(...
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