Geometry and ionic radii

Article Abstract:

The electron density of geometric properties in ionic materials were examined using Bader's theory of atoms in molecules (AIM). The AIM theory was utilized in investigating ionospheric electron density. The ionic radii, ion shape in crystals and several atomic properties were characterized. The AIM theory uncovered the complex atomic and ionic shapes in crystals and in particular the B1 and B2 phases of the alkali halides. Moreover, the geometric nature of binding in crystals was attributed to the complex relationship between the topological ionic radii and topological properties.

Research, Crystals, Crystal structure, Solid state chemistry, Electrons, Ionospheric electron density

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Comparative study of generalized Born models: Born radii and peptide folding

Article Abstract:

Four analytical generalized Born models are implemented and their performance is investigated in conjunction with the GROMOS96 force field. A general strategy, which involves using different combinations of force fields and solvent models in different applications, is suggested.

New York, Peptides, Spectra, Macromolecules, Nuclear forces (Physics), Fundamental forces (Physics)

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Decoupling of the Nernst-Planck and Poisson equations: application to a membrane system at overlimiting currents

Article Abstract:

One-dimensional stationary Nernst-Planck and Poisson (NPP) equations which described the ion electrodiffusion in multicomponent solution/electrode or ion-conductive membrane systems are presented.

All Other Miscellaneous General Purpose Machinery Manufacturing, Ion Exchange Membranes, General industrial machinery, not elsewhere classified, Ion-permeable membranes, Voltage, Electric potential, Electrodiffusion

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