a r t i c l e i n f o a b s t r a c t The photoionization processes of excited hydrogen atoms in plasma environments are investigated using the method of complex coordinate rotation. The standard Debye–Hückel model and modified Debye– Hückel model are adopted to describe the plasma screening effects. The photoionization cross sections of plasma-embedded excited hydrogen atoms varied with differ...

Graphs are used to model chemical compounds and drugs. In the graphs, each vertex represents an atom of molecule and edges between the corresponding vertices are used to represent covalent bounds between atoms. The Wiener polarity index W p (G) of a graph G is the number of unordered pairs of vertices u, v of G such that the distance between u and v is equal to 3. The trees and unicyclic graphs...

the solubility of co2 in the primary, secondary, tertiary and sterically hindered amine aqueous solutions at various conditions was studied. in the present work, the modified kent-eisenberg (m-ke), the extended debye-hückel (e-dh) and the pitzer models were employed to study the solubility of co2 in amine aqueous solutions. two explicit equations are presented to evaluate the concentration of h...

Motivated by our recent proposition on the possibility of using dielectric continuum models to interpret experimental measurements of solvation dynamics in room temperature ionic liquids [J. Phys. Chem. A 110, 8623 (2006)], some detailed simulation studies are performed to test the validity of our proposition. From these simulation studies, it seems to be justified that an extended Debye-Hückel...

The reorganization energy of electron transfer processes in ionic fluids is studied under the linear response approximation using a molecule Debye-Hückel theory. Reorganization energies of some model reactants of electron transfer reactions in molten salts are obtained from molecular simulations and a molecule Debye-Hückel approach. Good agreements between simulation results and the results fro...

A key component for the description of charged particle systems is the screening of the Coulomb interaction between charge carriers. First investigated in the 1920s by Debye and Hückel for electrolytes, charge screening is important for determining the structural and transport properties of matter as diverse as astrophysical and laboratory plasmas, nuclear matter such as quark-gluon plasmas, el...

Pro-aromatic molecules have higher-energy diradicaloid states that are significantly influenced by resonance structures in which conjugated rings take on Hückel-aromatic character. Recently, it has been argued there also pro-aromatic adopt central units with 4nπ-electron Baird-aromatic character the T1 state, although detailed analysis suggests these compounds better labelled as Hückel–Baird hy...

The thermodynamics of electrolyte solutions has been investigated by many scientists throughout the last century. While several theories have been presented, the most popular models for the electrostatic interactions are based on the Debye− Hückel and mean spherical approximation (MSA) theories. In this paper we investigate the differences between the Debye− Hückel and the MSA theories, and com...

Electron transfer near an electrode immersed in ionic fluids is studied using the linear response approximation, namely, mean value of the vertical energy gap can be used to evaluate the reorganization energy, and hence any linear response model that can treat Coulomb interactions successfully can be used for the reorganization energy calculation. Specifically, a molecular Debye-Hückel theory i...