: In this work, different levels of theory containing HF, B3LYP, and MP2 with different basis sets such as 6-31G, 6-31G*, 6-311G, 6-311+G, 6-31+G*, 6-31+G are used to predict relative acidity constants of some aniline derivatives. Three different kinds of radii containing UAHF, Bondi, and Pauling are used to study how cavity forms change acidity constants. In all cases, DPCM model is used to si...

Modeling the flow curves of materials at elevated temperatures is the first step in mathematical simulation of the hot deformation processes of them. In this work a comparative study was provided to examine the capability of three different constitutive equations in modeling the hot deformation flow curves of AZ91 magnesium alloy. For this, the Arrhenius equation with strain dependent constants...

Using UV-vis spectrophotometic method, the formation constants for interaction of Cd2+(aq) andCo2+(aq) ions with L-Alanine were experimentally studied at pH = 4.1 ± 0.01 (50mM of potassiumhydrogen phthalate buffer), ionic strength of 0.1M potassium nitrate and at 5 differenttemperatures 15,20, 25,30 and 35°C. The optical absorption spectra of mixtures containingconsidered cations and L-Alanine ...