منابع مشابه
Topology and Energetics of Metal-Encapsulating Si Fullerene-Like Cage Clusters
On the basis of a topological discussion as well as an ab initio calculation, we show that it is possible to construct a fullerene-like Si cage by doping of a transition metal atom. The cage is a simple 3-polytope which maximizes the number of its inner diagonals close to the metal atom. Our topological argument also reveals how closely the structure of the fullerene-like Si cages studied is re...
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Experimental and theoretical studies on fullerene cages are the topic of several investigations in recent years [ 1-l 11. Since the chemistry of fullerenes is increasingly becoming important and theoretical studies of these cages are on the increase it is necessary to have several mathematical procedures for the study of topological properties of these cages. Topological, graph theoretical and ...
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Chlorination of the D(2)-C(76) fullerene under various conditions is studied in detail. It is found that, in addition to the previously known C(76)Cl(18) and C(76)Cl(34), a number of intermediate chlorides are formed, with all molecules falling into two structural types. The first type is observed in the C(76)Cl(18)-C(76)Cl(28) range, whereas further chlorination provides the C(76)Cl(30)-C(76)C...
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this study investigates the cohesive devices used in the textbook of english for the students of psychology. the research questions and hypotheses in the present study are based on what frequency and distribution of grammatical and lexical cohesive devices are. then, to answer the questions all grammatical and lexical cohesive devices in reading comprehension passages from 6 units of 21units th...
Adsorption of proline amino acid on the surface of fullerene (C20) and boron nitride cage (B12N12): A comprehensive DFT study
In this study, the performance of fullerene (C20) and boron nitride cage (B12N12) as a sensing material for detection of proline was evaluated by density functional theory. For this purpose, the structures of proline, C20, B12N12 and the derived products from the proline adsorption on the surface of nanostructures were optimized geometrically. Then, IR and Frontier molecular orbital calculation...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2005
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/10/1/029