Building 3-dimensional (3D) molecules is the starting point in molecular modeling. Conformer search and identification of a global energy minimum structure are often performed computationally during spectral analysis of data from NMR, IR, and VCD or during rational drug design through ligand-based, structure-based, and QSAR approaches. I herein report a convenient script that allows for automat...

Motion perception is one of the mod important aspect of the biological visual system, @om which we get a lot of infort?tation of the natural world. From the physiological and anatomical study on biological vision system, it is shown tliat the perception of two dimentional (20) t?rotion is in two steps: one dimentional (ID) motion detection arid I D motion information fusion. This paper we pay a...

In this work we consider symplectic Runge Kutta Nyström (SRKN) methods with three stages. We construct a fourth order SRKN with constant coefficients and a trigonometrically fitted SRKN method. We apply the new methods on the two-dimentional harmonic oscillator, the Stiefel-Bettis problem and on the computation of the eigenvalues of the Schrödinger equation.

We compute the Selberg trace formula for Hecke operators (also called the trace formula for modular correspondences) in the context of cocompact Kleinian groups with finite-dimentional unitary representations. We give some applications to the distribution of Hecke eigenvalues, and give an analogue of Huber’s theorem.

A discriminative feature extraction based on Principal component analysis (PCA) and Gaussian mixture models is presented to increase the discrimative capability of modified two dimentional root cepstrum analysis (MTDRC). The exprimental results show that F-ratio tests indicate better separability of phonemes by using discriminative feature extraction than MTDRC. Key–Words: Feature extraction,PC...

the non-uniformity factor is used for correction of the formulas obtained from the one-dimentional fluid flow method in a centrifugal impeller pump. the variations of radial velocity at the outlet of five centrifugal impellers with the specific speed of about ns =50 are calculated at design point by using two-dimentional potentional flow method for an invisid fluid. on the other hand~ the varia...

the fabrication of complex-shaped parts out of (wt %) co-28cr-6mo alloy by three-dimensional printing (3dp) was studied using two grades of the alloy with average particle sizes of 20 and 75 μm. to produce sound specimens, 3dp processing parameters were tuned. the sintering behavior of the powders was characterized by the dilatometric analysis. batch sintering in argon atmosphere at 1280 °c for...