Sharif Digital Repository

The mechanism and kinetic aspects of the retro-ene reaction of the Allyl n-propyl sulfide and its deuterated derivative were studied using four different types of density functional theory methods with eight different levels of the basis sets. The activation energies were determined at 550.65 K. As a consequence of our calculations, a transition state is concluded that consists of a polar six-center cyclic structure. We found that the combination B3PW91/6-311++G** produces activation energy values closer to the experimental ones, but the simpler combination B3LYP/6-31G* produces excellent values too in less time. Our calculations show that the activation parameters obtained from the B3... 

The current paper focuses on the non-linear torsional vibration of a one-stage transmission gear system. Four different methods have been applied for solution of the equation of motion; the discretization method, the perturbation method, the Ritz method, and the stepwise time integration of the equation of motion. The time and frequency results from these analyses have been compared with each other, as well as those reported in literatures. Although all of these methods are accurate and computationally effective for finding the main spectral contribution, however, only the discretization method and the step-wise time-integration model are able to identify the other frequency components. ©... 

In recent years, Iran has experienced many landslides due to high tectonic activity, and a variety of geological and climatic conditions. This paper proposes a novel hybrid model based on step-wise weight assessment ratio analysis (SWARA) method and adaptive neuro-fuzzy inference system (ANFIS) to evaluate landslide susceptible areas using geographical information system (GIS). At first, based on an inventory map, landslide locations were randomly divided into two parts, 70% of which were used for generating the landslide hazard map and 30% of which were used for the validation of the model. Then, twelve landslide predisposing factors, such as lithology, slope angle, slope aspect, plan...