نتایج جستجو برای: hückel model

تعداد نتایج: 2104715  

Journal: :The Journal of chemical physics 2015
Monika Stipsitz Gerhard Kahl Emanuela Bianchi

We generalize the inverse patchy colloid model that was originally developed for heterogeneously charged particles with two identical polar patches and an oppositely charged equator to a model that can have a considerably richer surface pattern. Based on a Debye-Hückel framework, we propose a coarse-grained description of the effective pair interactions that is applicable to particles with an a...

2005
Miloslav Znojil

Exact solvability of the discretized N−point version of the PT −symmetric squarewell model at all N is pointed out. Its wave functions are found proportional to the classical Tshebyshev polynomials Uk cos θ) of a complex argument. A compact secular equation is derived giving the real spectrum of energies at all the non-Hermiticity strengths Z ∈ (−Zcrit(N), Zcrit(N)). In the limit Z → 0 the mode...

2007
Philip A. Janowicz

INTRODUCTION The idea of Möbius aromaticity was first proposed by Heilbronner in 1964. He postulated that a molecule could gain Möbius aromatic stabilization if the nuclear framework were twisted so the porbitals composing the π-system would contain an odd number of nodes. To introduce a node in the orbitals, Heilbronner theorized that a series of p-orbitals could itself be twisted by contortin...

Journal: :Europhysics Letters (EPL) 1997

Journal: :Acta Chemica Scandinavica 1981

Journal: :Journal of Computational Chemistry 2006

2016
Hadi Nazaripoor Aloke Kumar Mohtada Sadrzadeh

An analytical solution is developed for the unsteady flow of fluid through a parallel rotating plate microchannel, under the influence of electrokinetic force using the Debye–Hückel (DH) approximation. Transient Navier–Stokes equations are solved exactly in terms of the cosine Fourier series using the separation of variables method. The effects of frame rotation frequency and electroosmotic for...

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