We have performed a theoretical and experimental study of the three isomers of xylene, C6H4~CH3!2, adsorbed on Pd~111!. Using scanning tunneling microscopy ~STM!, we imaged the characteristic surface structures and investigated the molecular ordering for meta-, para-, and ortho-xylene adsorbed on Pd~111!. We used extended Hückel theory to predict the characteristic features of individual xylene...

To understand the range of close-to-classical critical behavior seen in various electrolytes, generalized Debye-Hückel theories (that yield density correlation functions) are applied to the restricted primitive model of equisized hard spheres. The results yield a Landau-Ginzburg free-energy functional for which the Ginzburg criterion can be explicitly evaluated. The predicted scale of crossover...

In this research, the protonation constant value of tannic acid was determined at 25 °C and different ionic strengths (0.1 to 0.7 mol/dm3 NaCl) using potentiometric titration technique. The dependence of protonation constant on ionic strength was modeled and discussed by a Debye-Hückel type equation. Then, based on the obtained data from experiments, the minimizing Sum o...

In the present study an alternative model allows the extension of the Debye-Hückel Theory (DHT) considering time dependence explicitly. From the Electro-Quasistatic approach (EQS) done in earlier studies time dependent potentials are suitable to describe several phenomena especially conducting media as well as the behaviour of charged particles in arbitrary solutions acting as electrolytes. Thi...

The LaFe(13)-(x)Si(x) (1.0 < or = x < or = 5.0) series is studied experimentally and theoretically to gain possible understanding for the relationships among geometrical structure, chemical composition, magnetic behavior, and physical properties as related to the magnetocaloric effect in these compounds. As the Si concentration increases, LaFe(13)-(x)Si(x) exhibits a structural transformation f...

The effects of non-equilibrium charge screening in mixtures of oppositely charged interacting molecules on surfaces are analyzed in a closed system. The dynamics of charge screening and the strong deviation from the standard Debye-Hückel theory are demonstrated via a new formalism based on computing radial distribution functions suited for analyzing both short-range and long-range spacial order...

We suggest kinetic models of dissipation for an ensemble of interacting oriented particles, for example, moving magnetized particles. This is achieved by introducing a double bracket dissipation in kinetic equations using an oriented Poisson bracket, and employing the moment method to derive continuum equations for magnetization and density evolution. We show how our continuum equations general...

Figure S1. Density of states (DOS) for the periodic structures of TiO2 anatase (a), phenyl-acac-TiO2 (b), and 3-acac-pyran-2-one-TiO2 (c), calculated at the extended Hückel level. The filled black lines in (b)-(c) are the projected DOS of the dye chromophores. The blue arrows point to the electronic states with a predominant contribution of HOMO, and the red arrows point to the electronic state...