Comparative Study of Intramedullary Flexible Nailing and External Fixator Result in the Management of Fractures Tibial Shaft. (Gustilo type II, type IIIA, and type IIIB).

Introduction: Open tibial fractures, usually caused by high-energy trauma, are among the most common long-bone fractures. Clinically, the treatment of open tibial fractures remains a major therapeutic problem for surgeons because of the poor soft-tissue coverage and blood supply in the tibia, with resultant difficulties arising from infection and poor bone healing. In this study, we will assess the results of intramedullary flexible nailing and external fixators in the management of fractures shaft tibia (G.

Effects of density functionals and dispersion interactions on geometries, bond energies and harmonic frequencies of EUX3 (E=N, P, CH; X=H, F, Cl).

Quantum-chemical calculations have been performed to evaluate the geometries, bonding nature and harmonic frequencies of the compounds [EUX3] at DFT, DFT-D3, DFT-D3(BJ) and DFT-dDSc levels using different density functionals BP86, BLYP, PBE, revPBE, PW91, TPSS and M06-L. The stretching frequency of UN bond in [NUF3] calculated with DFT/BLYP closely resembles with the experimental value. The performance of different density functionals for accurate UN vibrational frequencies follows the order BLYP>revPBE>BP86>PW91>TPSS>PBE>M06-L.

Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study.

Electronic, molecular structure and bonding energy analyses of the metal-aminosilylyne, -aminogermylyne, -aminostannylyne and -aminoplumbylyne complexes [(η(5)-C5H5)(CO)2M[triple bond, length as m-dash]EN(SiMe3)(Ph)] (M = Mo, W) and [(η(5)-C5H5)(CO)2Mo[triple bond, length as m-dash]GeN(SiMe3)(Mes)] have been investigated at DFT, DFT-D3 and DFT-D3(BJ) levels using BP86, PBE, PW91, RPBE, TPSS and M06-L functionals. The performance of metaGGA functionals for the geometries of aminoylyne complexes is better than GGA functionals. Significant dispersion interactions between OH, EC(O) and EH pairs appeared in the dispersion-corrected geometries.