The spin-polarized calculations in generalized gradient approximation density–functional theory (GGA–DFT) have been used to show how the existence of second metals can modify the atomic hydrogen adsorption on Au (100), Cu (100), and Pt (100) surfaces. The computed adsorption energies for the atomic hydrogen adsorbed at the surface coverage of 0.125 ML (monolayer) for the monometallic Au (100), ...

The adsorption of small molecules such as NO or CO on surfaces of magnetic oxides containing transition metals is difficult to model by current density functional approximations. Two such oxides are NiO(100) and Ni-doped MgO(100). Here we compare the results of a theoretical model of the Ni-doped MgO(100) surface with experimental results on NiO(100), which introduces some uncertainty into a qu...

The equilibrium solubility data of CO2 in the various aqueous blends of triisopropanolamine (TIPA) + monoethanolamine (MEA) with the total alkanolamine concentration of 2 mole / dm3 were measured at the temperatures of 30, 40, 50, 60 and 70 oC and CO2 partial pressures below 100 kPa. The experiments were done in an atmospheric gas absorption syste...

This study was designed to examine the effects of retinoic acid adding to cumulus and/or fibroblast cellsmonolayer on the development of mouse early embryos. One-cell mouse embryos were obtained from NMRImice after superovulation by an intraperitoneal injection of 5 IU equine chorionic gonadotrophin (eCG)followed 48 hrs later by 5 IU human chorionic gonadotrophin (hCG). Mouse embryonic fibrobla...

in this paper, we present some inequalities for the co-pi index involving the some topological indices, the number of vertices and edges, and the maximum degree. after that, we give a result for trees. in addition, we give some inequalities for the largest eigenvalue of the co-pi matrix of g.

in this paper, we introduce the notion of primal strong co-ideals and give some results involving them. it is shown thatsubtractive strong co-ideals are intersection of all primal strong co-ideals that contain them. also we prove that the representation of strong co-ideals as reduced intersections of primal strong co-ideals is unique.

adhesion level for the proper running of rail wheelset on track is crucial problem in detecting slippage to avoid accidents. the slippage of rail wheels has been observed applying forward and lateral motions to slip velocity and torsion motion. the longitudinal and lateral forces behavior is watched with respect to traction force to note correlation based on angle of attack. the deriving torque...

The co-adsorption of CO and OH on two Pt stepped surfaces vicinal to the (111) orientation has been evaluated by means of density functional theory (DFT) calculations. Focusing on Pt(533) and Pt(221), which contain (100) and (111)-steps, respectively, we find that (111)-steps should be more reactive towards CO oxidation than surfaces containing (100)-steps. The DFT results are compared with ele...