نتایج جستجو برای: semi empirical methods
تعداد نتایج: 2149770 فیلتر نتایج به سال:
In this paper, a semi-empirical model of air waves induced by falling rock is described. The model is composed of a uniform motion phase (velocity close to 0 m·s-1) and an acceleration movement phase. The uniform motion phase was determined based on experimentally and the acceleration movement phase was derived by theoretical analysis. A series of experiments were performed to verify the semi-e...
Abstract We give a new and constructive proof of the existence global-in-time weak solutions 3-dimensional incompressible semi-geostrophic equations (SG) in geostrophic coordinates, for arbitrary initial measures with compact support. This proof, based on semi-discrete optimal transport techniques, works by characterising discrete SG coordinates terms trajectories satisfying an ordinary differe...
In order to estimate Reynolds number effects on a transonic transport aircraft CFD calculations have been performed. The CFD calculations have been done solving the RANS equations on an unstructured grid for varying Reynolds number at transonic conditions. Low Reynolds number data have been extrapolated to a higher Reynolds number condition with different scaling methodologies in order to evalu...
Vibrational studies of amino acids experimentally and theoretically have been performed. The Semi-empirical methods optimization by PM6 and RM1 on the land d-amino acids (alanine, phenylalanine, aspartic and glutamic acid), showed no difference in energy between l-and d-isomers. The vibrational frequencies were calculated by semi-emprical methods (PM6 and RM1) and ab initio methods (B3LYP/6-31+...
MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.
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