the kinetics and mechanism of the reaction of 5-nitro-1h-benzo[d] imidazole to produce 6-nitro-1h-benzo[d] imidazole was studied by employing hybrid meta-density functional theory. mpwblk/6-31+g** level calculations were carried out to obtain energies and optimize the geometries of all stationary points along the pes, and determine the harmonic vibrational frequencies. two transition states (ts...

A dual phase Ti-6A1-4V alloy was tested in uniaxial tension over a large quasi-static loading range (10−5–10−1 s−1) in ambient environment. As strain rate increases, strength of the alloy was found to increase at the expense of ductility. In the low strain-rate region, strain rate sensitivity of the material experienced a gradual decrease during plastic deformation. In the high strain-rate regi...

The kinetics of Na(+)-dependent phosphorylation of the Na(+),K(+)-ATPase by ATP were investigated via the stopped-flow technique using the fluorescent label RH421 (saturating [ATP], [Na(+)], and [Mg(2+)], pH 7.4, and 24 degrees C). The well-established effect of buffer composition on the E(2)-E(1) equilibrium was used as a tool to investigate the effect of the initial enzyme conformation on the...

Large-amplitude oscillatory shear flow (LAOS) is a popular for studying the nonlinear physics of complex fluids. Specifically, the strain rate sweep (also called the strain sweep) is used routinely to identify the onset of nonlinearity. In this paper, we give exact expressions for the nonlinear complex viscosity and the corresponding nonlinear complex normal stress coefficients for the Oldroyd ...