Extending the applicability of the nonlinear Poisson-Boltzmann equation: multiple dielectric constants and multivalent ions

Article Abstract:

A new version of the DelPhi program, which provides numerical solutions to the nonlinear Poisson-Boltzmann (PB) equation, is presented. This program can divide space into multiple regions containing different dielectric constants, and can treat systems containing mixed salt solutions where the valence and concentration of each ion is different.

Usage, Ligand binding (Biochemistry), Distribution (Probability theory), Atomic properties

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Spectroscopic and theoretical study of push-pull chromophores containing thiophene-based quinonoid structures as electron spacers

Article Abstract:

The infrared and vis-near-IR spectra of the donor-acceptor chromophores 1-3 bearing thiophene-based spacers end-capped with 1,3-dithiol-2 ylidene and dicyanomethylene groups are investigated. The vibrational and electronic property of chromophores 1-3 compounds is largely influenced by the quinonoid structure of the bridge.

Electric properties, Coordination compounds, Complex compounds, Chromophores

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