نتایج جستجو برای: hückel theory
تعداد نتایج: 782529 فیلتر نتایج به سال:
1. Measurements are reported on the distribution of sodium and potassium guaiacolates between guaiacol and water at 25 degrees C. 2. The variation of the partition coefficients with the concentration is explained with the aid of the Debye-Hückel interionic attraction theory and the assumption that the salts are strong electrolytes in water and weak electrolytes in guaiacol. 3. The dissociation ...
We study the behavior of two macroions with dissociable charge groups, regulated by local variables such as pH and electrostatic potential, immersed in a monovalent salt solution, considering cases where the net charge can either change sign or remain of the same sign depending on these local parameters. The charge regulation in both cases is described by the proper free-energy function for eac...
Starting with a finite k-mesh version of a well-known equation by Blount, we show how various definitions proposed for the polarization of long chains are related. Expressions used for infinite periodic chains in the ’modern theory of polarization’ are thereby obtained along with a new single particle formulation. Separate intracellular and intercellular contributions to the polarization are id...
Spatial configurations of randomly charged polymers, known as polyampholytes (PAs), are very sensitive to the overall excess charge Q. Analytical arguments, supported by Monte Carlo simulations and exact enumeration studies, lead to the following picture: For Q < Qc ≈ q0 √ N (q0 is the elementary charge, N is the number of monomers in the polymer), the radius of gyration Rg of the polymer decre...
Suspensions of hard colloidal particles frequently serve as model systems in studies on fundamental aspects of phase transitions. But often colloidal particles that are considered as "hard" are in fact weakly charged. If the colloids are spherical, weak charging has only a weak effect on the structural properties of the suspension, which can be easily corrected for. However, this does not hold ...
2014 The profiles of the transmission diffraction spots from a Langmuir-Blodgett film of aliphatic chain compound are derived from three plausible models of molecular organisation : a polycrystalline phase with long-range orientational order; a paracrystal possessing a density of point defects which do not interrupt the lattice rows ; and a Nelson and Halperin hexatic smectic phase in the «Deby...
We investigate the influence of monovalent saltions on the structural properties of polyelectrolyte solutions using an integral equation theory. In this approach all species of the solution ~polyions, counterions, and positively and negatively charged saltions! are treated explicitly leading to a four-component system. The polymer-reference-interaction-site model for this system, together with ...
1. The apparent acid and basic dissociation constants were determined potentiometrically by the methods of hydrolysis and of titration for the following ampholytes: Glycocoll, glycylglycocoll, alanylglycocoll, valylglycocoll, leucylglycocoll, methylleucylglycocoll, phenylalanylglycocoll and glycylglycylglycocoll. The constants were also determined in the presence of KCl and of K(2)SO(4) at equa...
Simulations of the Lebowitz length, xiL (T, rho), are reported for the restricted primitive model hard-core (diameter a) 1:1 electrolyte for densities rho approximately < 4rho(c) and T(c) approximately < T approximately < 40T(c). Finite-size effects are elucidated for the charge fluctuations in various subdomains that serve to evaluate xiL. On extrapolation to the bulk limit for T approximately...
The fundamentals of a consistent relativistic approach to determination radiation and spectral characteristics the atomic systems (atoms, multicharged ions in plasmas conditions) strong external electromagnetic field (EMF), which is based on energy formalism (REA) (adiabatic Gell-Mann Low formalism) many-body perturbation theory (RMBPT) for are presented. Within an approximation formula express...
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