As drug delivery systems Nanoparticulan widely investigated because of many advantages such as smaller size,controlled drug release potentiaL targeting ability, enhancement of therapeutic efficacy and reduction oftoxicity. So, carbon nanotubes have recently received considerable attention as alternative drug delivery carrierIn this study we investigate interaction of tamoxifen with open-end of ...

A class of complete potential-density basis sets in cylindrical (R,φ, z) coordinates is presented. This class is suitable for stability studies of galactic disks in three dimensions and includes basis sets tailored for disks with vertical density profiles that are exponential (e−|z|/z0), Gaussian (e−(z/z0) 2 ) or locally isothermal ( sech(z/z0) ). The basis sets are non-discrete and non-biortho...

We show that if there is a nonconstructible real, then every perfect set has a nonconstructible element, answering a question of K. Prikry. This is a specific instance of a more general theorem giving a sufficient condition on a pair M ⊂ N of models of set theory implying that every perfect set in N has an element in N which is not in M .

an interaction potential at different orientation for the ch4 and co2 complex was derived at theb3lyp level of theory and 6-31+g* basis sets. the potential energy surface was computed on somemolecular geometries. the complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. to determine the second virial coefficients b, u(r) is used to obtain themodel’s ...

In preparation for computational work with molecular orbitals written as linear combinaions of atomic orbitals, for first and second row atoms, we have developed a general procedure to parametrize linear combinations of Gaussian orbitals. We used a Gaussian transform, and a Gauss-Legendre quadrature, to express hydrogenic orbitals (with the correct long-range dependence for collisions) as contr...

An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...

Finding the sparsest solution α for an under-determined linear system of equations Dα = s is of interest in many applications. This problem is known to be NP-hard. Recent work studied conditions on the support size of α that allow its recovery using l1-minimization, via the Basis Pursuit algorithm. These conditions are often relying on a scalar property of D called the mutual-coherence. In this...

A new procedure for the optimization of the exponents, a j , of Gaussian basis functions, Y l (q ,w)re jr 2 , is proposed and evaluated. The direct optimization of the exponents is hindered by the very strong coupling between these nonlinear variational parameters. However, expansion of the logarithms of the exponents in the orthonormal Legendre polynomials, Pk , of the index, j: ln aj5(k50 max...