نتایج جستجو برای: hückel theory

تعداد نتایج: 782529  

2017
Bjørn Maribo-Mogensen Georgios M. Kontogeorgis Kaj Thomsen

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...

Journal: :The Journal of chemical physics 2011
Tiejun Xiao Xueyu Song

A molecular Debye-Hückel theory for electrolyte solutions with size asymmetry is developed, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes. As the size asymmetry of an electrolyte solution leads to a charge imbalanced border zone around a solute, the dielectric response to the solute is characterized by two types...

Journal: :The Journal of chemical physics 2014
Willem Van den Heuvel Alessandro Soncini

We present a two-band model based on periodic Hückel theory, which is capable of predicting the existence and position of Dirac cones in the first Brillouin zone of an infinite class of two-dimensional periodic carbon networks, obtained by systematic perturbation of the graphene connectivity by bond decoration, that is by inclusion of arbitrary π-electron Hückel networks into each of the three ...

Journal: :Bulletin of the Chemical Society of Japan 1937

Journal: :The Journal of chemical physics 2009
Andrés Santos Riccardo Fantoni Achille Giacometti

The linearized Debye-Hückel theory for liquid state is shown to provide thermodynamically consistent virial and energy routes for any potential and for any dimensionality. The importance of this result for bounded potentials is discussed.

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