The relative stability of hydrogen-bonded of Molybdate-Phosphonic Acid (MPA) complex (1:2) ingas phase has been carried out using Density Functional Theory (DFT) methods. The methods are usedfor calculations are B3LYP, BP86 and B3PW91 that have been studied in two series of basis sets: D95**and 6-31+G(d,p) for hydrogen and oxygen atoms; LANL2DZ for Mo and Phosphorus. Predictedhydrogen-bond geom...

time-dependent schrödinger equation for a 1-d model of hydrogen molecular ion h2+ in intenselaser field linearly polarized along the molecular axis is solved. ionization rates are calculated for differentinitial states. the evolution of electronic wavefunction at fixed inter-nuclear separations are simulated andanalyzed. the results obtained for the ground state of this 1-d model of h2+ show ap...

in this paper, we introduce non-interest profit/loss sharing (pls) banks into a three-period overlapping generations model. two types, (low- and high quality) investments are assumed and capital accumulation and level of output in the steady state is considered. then, administrative rationing is introduced to the model. it is shown that the level of capital accumulation and output in equilibriu...

‎in a real hilbert space‎, ‎an iterative scheme is considered to‎ ‎obtain strong convergence which is an essential tool to find a‎ ‎common fixed point for a countable family of nonexpansive mappings‎ ‎and the solution of a variational inequality problem governed by a‎ ‎monotone mapping‎. ‎in this paper‎, ‎we give a procedure which results‎ ‎in developing shehu's result to solve equilibrium prob...

in this work, a more accurate prediction of liquid evaporation flux has been achieved. the statistical rate theory approach, which is recently introduced by ward and fang and exact estimation of vapor pressure in the layer adjacent to the liquid–vapor interface have  been used for prediction of this flux. firstly, the existence of an equilibrium layer adjacent to the liquid-vapor interface is c...

seepage in earth fill dams is one of the important factors that may cause the erosion and slope instability if it is ignored. therefore, it is crucial to calculate the leakage discharge through the body of dam and foundation, to prevent economic and life hazards by considering technical and economical issues. in this research, the seepage analysis of the body and the stability of the upstream a...