نتایج جستجو برای: kekulé structure

تعداد نتایج: 1567986  

Journal: :Discussiones Mathematicae Graph Theory 2012
Andrej Taranenko Aleksander Vesel

As a general case of molecular graphs of benzenoid hydrocarbons, we study plane bipartite graphs with Kekulé structures (1-factors). A bipartite graph G is called elementary if G is connected and every edge belongs to a 1-factor of G. Some properties of the minimal and the maximal 1-factor of a plane elementary graph are given. A peripheral face f of a plane elementary graph is reducible, if th...

2005
Haruo HOSOYA

Several sequences of graphs are introduced whose perfect matching numbers, or Kekulé numbers, K(G), are either Fibonacci or Lucas numbers, or their multiples. Since the ratio of the K(G)s of consecutive members converges to the golden ratio, these sequences of graphs belong to another class of golden family graphs.

Journal: :Dalton transactions 2012
Michael Schmittel Qinghai Shu Mehmet Emin Cinar

Setting up spatially separated HOMO and LUMO regions in a non-Kekulé structured trinuclear Ir(III)-Ru(II)-Ir(III) system and using oxidative-reduction electrochemiluminescence leads to emissions that are not detected in photoluminescence. Moreover, the new design allows tuning of the wavelength of emission in a stepless fashion as a function of the selected potential range.

Journal: :The Journal of biological chemistry 2005
Thomas Kolter Florian Winau Ulrich E Schaible Matthias Leippe Konrad Sandhoff

Published, JBC Papers in Press, October 17, 2005, DOI 10.1074/jbc.R500015200 Thomas Kolter, Florian Winau, Ulrich E. Schaible, Matthias Leippe, and Konrad Sandhoff From the Kekulé-Institut für Organische Chemie und Biochemie, D-53121 Bonn, Germany, the Max-Planck-Institut für Infektionsbiologie, Abteilung Immunologie, D-10117 Berlin, Germany, and the Zoologisches Institut der Universität Kiel, ...

Journal: :Advances in Applied Mathematics 1993

1992
Kikuo Harigaya

Possible dimerization patterns and electronic structures in fullerene tubules as the one-dimensional π-conjugated systems are studied with the extended Su-Schrieffer-Heeger model. We assume various lattice geometries, including helical and nonhelical tubules. The model is solved for the half-filling case of π-electrons. (1) When the undimerized systems do not have a gap, the Kekulé structures p...

2009
Shinsei Ryu Christopher Mudry Chang-Yu Hou Claudio Chamon

We classify all possible 36 gap-opening instabilities in graphenelike structures in two dimensions, i.e., masses of Dirac Hamiltonian when the spin, valley, and superconducting channels are included. These 36 order parameters break up into 56 possible quintuplets of masses that add in quadrature and hence do not compete and thus can coexist. There is additionally a sixth competing mass, the one...

Journal: :Physical chemistry chemical physics : PCCP 2015
Matteo Baldoni Francesco Mercuri

Calculations based on density functional theory demonstrate the occurrence of local deformations of the perfect honeycomb lattice in nanographenes to form arrangements, with triangular symmetry, composed of six-membered ring patterns. The formation of these locally regular superstructures, which can be considered as benzenoid-like domains on the 2D graphene lattice, is ascribed to the gain in r...

Journal: :The Journal of organic chemistry 2010
Lauri Lipping Ivar Koppel Ilmar A Koppel Alexander Kolomeitsev Gerd-Volker Röschenthaler Ivo Leito

The study of the polyfluorination and polytrifluoromethylation effects on electronic structure and intrinsic acidities has been performed using DFT B3LYP and NBO calculations for the valence isomers of benzene and phenol, i.e., the structures of prismane, benzvalene, Kekulé, and Dewar systems. Also the isodesmic reaction analysis approach to estimate the effects of the substituents on the acidi...

1992
Kikuo Harigaya

Possible dimerization patterns and electronic structures in fullerene tubules as the π-conjugated systems are studied with the extended Su-Schrieffer-Heeger model. We assume various lattice geometries, including helical and nonhelical tubules, and tubules with end caps. The model is solved for the half-filling case of π-electrons. (1) When the undimerized systems do not have a gap, the Kekulé s...

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