Over the years, we have seen how, thanks to experimentation on animal models, foundations been laid in field of implantology. In most cases, studies related bone scale are carried out species that similar their movements and behavior humans. The femur has selected as reference for our test, selecting animals experiment with goat breed, bovine breed porcine similarity human body, obtaining speci...

The structural stabilities, geometry and electronic properties of C24 and some its heterofullerenederivatives are compared at the B3LYP/6-311-EFG**//B3LYP/6-31+G* level of theory. Vibrationalfrequency calculations show that all the systems are true minima. The calculated binding energies ofheterofullerenes show C24 as the, most stable fullerenes by 9.03eV/atom. While decreasing bindingenergy in...

A molecular conformation study on three 3-monosubstituted derivatives o f propene has been carried out by evaluating the EFG at the site o f the halogen nucleus using a semi-empirical LCAO-MO-SCF method. Calculations are performed on several conformers at INDO and CNDO level, using “sp” and “spd” valence basis sets, with Slater type orbitals as the basis functions. The results obtained for vari...

We have examined the antiferromagneticly coupled bis(μ-oxo)dimanganese(IV) complex [Mn(2)O(2)(salpn)(2)] (1) with (55)Mn solid-state NMR at cryogenic temperatures and first-principle theory. The extracted values of the (55)Mn quadrupole coupling constant, C(Q), and its asymmetry parameter, η(Q), for 1 are 24.7 MHz and 0.43, respectively. Further, there was a large anisotropic contribution to th...

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The electric field gradient (efg) at the Nb site in the intermetallic compounds Nb3X (X = Al, In, Si, Ge, Sn) was measured by the Perturbed Angular Correlation (PAC) method using the wellknown gamma-gamma cascade of 133 482 keV inTa from the decay of Hf, substituting approximately 0.1 atom percent of Nb. The PAC results show that Vzz drops by nearly 40% when X changes from Al to In, and by abou...

Electric field gradients (EFG) at Hg were determined in mercury mercaptides H g ( S ( C H 2 ) i C H 3 ) 2 experimentally for i e {0, 1, 2} using time differential perturbed angular correlation and theoretically for i e {0, 1} with the full potential linearized augmented plane wave code WIEN95. Due to the large unit cells and small hydrogen atoms not full convergence of the plane wave basis set ...

The 35C1 NQ R transition frequencies and the spin-lattice relaxation times, T{, for both lines in p-chlorophenol have been measured in the temperature range 9 0 3 1 0 K. The frequency differ­ ence and the temperature derivatives for both lines clearly show the existence o f two temperature intervals with distinct lattice contributions to the EFG. Similarly, 7", data show a normal be­ haviour du...

In this paper a combined node searching algorithm for simulation of crack discontinuities in meshless methods called combined visibility and surrounding triangles CVT is proposed. The element free Galerkin EFG method is employed for stress analysis of cracked bodies. The proposed node searching algorithm is based on the combination of surrounding triangles and visibility methods; the surroundin...