a fullerene graph is a 3−connected planar graph whose faces are pentagons and hexagons.the clar number of a fullerene is the maximum size of sextet patterns, the sets of disjointhexagons which are all m-alternating for a kekulé structure m of f. an exact formula of clarnumber of some fullerene graphs and a class of carbon nanocones are obtained in this paper.

copper oxide nanostructures have been successfully synthesized via one-step solid-state thermolysis of two metal-organic frameworks, [cu3(btc)2] (1) and [cu(tpa).(dmf)] (2), (btc = benzene-1,3,5-tricarboxylate, tpa = therephtalic acid = 1,4-benzendicarboxylic acid and dmf = dimethyl formamide) under air atmosphere at 400,  500, and 600°c. it has also been found that the reaction temperature pla...

in recent years, using sol-gel procedure for the purpose of laboratory and industrial synthesis of nano-structures, and especially silica nano-particles, has been significantly increased. in this research, silica particles were synthesized by sol-gel procedure and their physical and chemical properties were studied by means of scanning electron microscopy (sem), transmission electron microscopy...

In this work, we demonstrate the successful incorporation of pure fullerene from solution into two-dimensional layered aluminosilicate minerals. Pure fullerenes are insoluble in water and neutral in terms of charge, hence they cannot be introduced into the clay galleries by ion exchange or intercalation from water solution. To overcome this bottleneck, we organically modified the clay with quat...

A series of donor-acceptor type co-crystals of fullerene (as the acceptor) and arylthio-substituted tetrathiafulvalene derivatives (Ar-S-TTF, as the donor) were prepared and their structural features were thoroughly investigated. The formation of co-crystals relies on the flexibility of Ar-S-TTF and the size matches between Ar-S-TTF and fullerene. Regarding their compositions, the studied co-cr...

it is necessary to generate the automorphism group of a chemical graph in computer-aidedstructure elucidation. an euclidean graph associated with a molecule is defined by a weightedgraph with adjacency matrix m = [dij], where for i≠j, dij is the euclidean distance between thenuclei i and j. in this matrix dii can be taken as zero if all the nuclei are equivalent. otherwise,one may introduce dif...

Combining total energy and structure optimization calculations, we explored new possible crystalline phases of covalently bonded C60 fullerenes and determined their structural, elastic, and electronic properties. Motivated by reported observations that bulk structures of polymerized fullerenes may be stiffer than diamond, we have explored possible ways of fullerene polymerization and have ident...

In this study, paraphenylenediamine was first bonded to the fullerene and was optimized geometrically by Using the quantum chemistry methods. paraphenylenediamine was examined in the isolated state and in the fullerene-bonded state via carbon atoms. In the theoretical research, the simulation was done by the Gauss View software. Then, the bonding orbital calculation was done by using the NBO me...

In this paper using Density Functional Theory (DFT), the principal carbon allotropic crystalline structures (Diamond, graphite, nanotube y fullereneC60) were simulated. The results showsdiamond sp3 bonds formation between carbon atomsand low reactivity, indicating low probability of lateral compound formation and high mechanical properties. Interplanar weakness was evidentin graphite structure,...