منابع مشابه
Study of fullerenes by their algebraic properties
The eigenvalues of a graph is the root of its characteristic polynomial. A fullerene F is a 3- connected graphs with entirely 12 pentagonal faces and n/2 -10 hexagonal faces, where n is the number of vertices of F. In this paper we investigate the eigenvalues of a class of fullerene graphs.
متن کاملElectronic properties of doped fullerenes
The most abundant fullerene molecule, C60, has just the right combination of size, chemical stability, and activity to serve as the building block for a large variety of solids with fascinating properties. After a short overview of the related carbon compounds, first the structures of the C60 molecule and the pure crystalline C60 are summarized. Experimental and theoretical works on the vibrati...
متن کاملA DFT study of the nuclear magnetic properties of fullerenes
The stable configurations, electronic structure and magnetic properties of B16N16, B8C24, Al and P inserted (BC3)8 was studied by performing density functional theory (DFT) calculations of the NMR parameters. The results indicate that B8C24 has semiconductivity property and be effectively modified by inserti...
متن کاملThermodynamic Properties for Argon
An analytical equation of state is applied to calculate the thermodynamic properties for argon. Theequation of state is that of Song and Mason. It is based on a statistical-mechanical perturbation theory ofhard convex bodies and can be written as fifth-order polynomial in the density. There exist three temperaturedependentparameters: the second virial coefficient, an effective molecular volume,...
متن کاملVibrational properties of noble gas endohedral fullerenes.
Analysis of IR and Raman spectra of Ar@C(60) and Kr@C(60) shows that the incorporation of noble gas atoms causes a blue shift of low energy vibrations, which have radial character, and a red shift of higher energy ones which have a tangential character movement. The mechanism of these phenomena is explained on the basis of ab initio numerical experiments with DFT and MP2 procedures. Methodologi...
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ژورنال
عنوان ژورنال: TANSO
سال: 1993
ISSN: 1884-5495,0371-5345
DOI: 10.7209/tanso.1993.40