نتایج جستجو برای: phenylenes
تعداد نتایج: 58 فیلتر نتایج به سال:
We present theoretical and numerical results on stii, linear polyelec-trolytes within the framework of the cell model. With the help of an innec-tion point criterium we discuss counterion condensation for systems with added salt. Molecular dynamics simulations of the cell model are used to show, under which circumstances the mean-eld Poisson-Boltzmann theory fails qualitatively. We present meas...
Anthanthrone and its derivatives are large polycyclic aromatic compounds (PACs) that pose a number of challenges for incorporation into the structure of soluble conjugated polymers. For the first time, this group of PACs was employed as the building blocks for the synthesis of copolymers (P1-P5) based on poly[(arylene ethynylene)-alt-(arylene vinylene)]s backbone (-Ph-C≡C-Anth-C≡C-Ph-CH=CH-Ph-C...
The concept of numerical Kekulé structures is used for coding and ordering geometrical (standard) Kekulé structures of several classes of polycyclic conjugated molecules: catacondensed, pericondensed, and fully arenoid benzenoid hydrocarbons, thioarenoids, and [N]phenylenes. It is pointed out that the numerical Kekulé structures can be obtained for any class of polycyclic conjugated systems tha...
During the last years, self-assembled organic nanostructures have been recognized as a proper fundament for several electrical and optical applications. In particular, phenylenes deposited on muscovite mica have turned out to be an outstanding material combination. They tend to align parallel to each other forming needlelike structures. In that way, they provide the key for macroscopic highly p...
Using extensive Molecular Dynamics simulations we study the behavior of polyelectrolytes with hydrophobic side chains, which are known to form cylindrical micelles in aqueous solution. We investigate the stability of such bundles with respect to hydrophobicity, the strength of the electrostatic interaction, and the bundle size. We show that for the parameter range relevant for sulfonated poly-p...
The distance d(u, v|G) between the vertices u and v of a molecular graph G is the length of a shortest u, v-path. We consider a class of Wiener–type topological indices Wλ(G) , defined as the sum of the terms d(u, v|G) λ over all pairs of vertices of G . Several special cases of Wλ(G) , namely for λ = +1 (the original Wiener number) as well as for λ = −2,−1,+1/2,+2 and +3 , were previously stud...
Structural codes vis-a-vis structural counts, like polynomials of a molecular graph, are important in computing graph-theoretical descriptors which are commonly known as topological indices. These indices are most important for characterizing carbon nanotubes (CNTs). In this paper we have computed Sadhana index (Sd) for phenylenes and their hexagonal squeezes using structural codes (counts). Sa...
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