To investigation non-bonded interaction of the [CuF4]2- complex inside nanoring, we focus on the single wall boron-nitride B18N18 nanoring. Thus, the geometry of B18N18 nanoring has been optimized by B3LYP method with EPR-II basis set and geometry of the [CuF4]2- complex has been optimized at B3LYP method with Def2-TZVP basis set and Stuttgart RSC 1997 Effective Core Potential. Also electronic ...

To investigation non-bonded interaction of the [CuF4]2- complex inside nanoring, we focus on the single wall boron-nitride B18N18 nanoring. Thus, the geometry of B18N18 nanoring has been optimized by B3LYP method with EPR-II basis set and geometry of the [CuF4]2- complex has been optimized at B3LYP method with Def2-TZVP basis set and Stuttgart RSC 1997 Effective Core Potential. Also electronic ...

We consider the first order periodic systems perturbed by a 2N × 2N matrix-valued periodic potential on the real line. The spectrum of this operator is absolutely continuous and consists of intervals separated by gaps. We define the Lyapunov function, which is analytic on an associated N-sheeted Riemann surface. On each sheet the Lyapunov function has the standard properties of the Lyapunov fun...

Buildings account for 40% of energy consumption in the US. Despite all improvements in buildings shell, equipment, and design, CO2 emissions from buildings are increasing as a result of increased energy consumption. Since occupants spend more than 90% of their time indoors, they are inseparable and significant elements of building system dynamics. Hence, there is a great potential for energy ef...

We consider the Schrödinger operator on the real line with a 2 × 2 matrix valued 1periodic potential. The spectrum of this operator is absolutely continuous and consists of intervals separated by gaps. We define a Lyapunov function which is analytic on a two sheeted Riemann surface. On each sheet, the Lyapunov function has the same properties as in the scalar case, but it has branch points, whi...

In this study, density functional theory is used to evaluate the electronic structure of the antimony chalcogenide series. Analysis of the electronic density of states and charge density shows that asymmetric density, or ‘lone pairs’, form on the Sb cations in the distorted oxide, sulphide and selenide materials. The asymmetric density progressively weakens down the series, due to the increase ...

to investigation non-bonded interaction of the [cuf4]2- complex inside nanoring, we focus on the single wall boron-nitride b18n18 nanoring. thus, the geometry of b18n18 nanoring has been optimized by b3lyp method with epr-ii basis set and geometry of the [cuf4]2- complex has been optimized at b3lyp method with def2-tzvp basis set and stuttgart rsc 1997 effective core potential. also electronic ...

OBJECTIVES To evaluate the influence of various photoactivation techniques on the internal gap, Knoop-hardness, and polymerization depth of silorane- and methacrylate-based composites in Class II restorations. METHODS Preparations were made in third molars (n = 10), according to composites (Filtek P60: methacrylate; Filtek P90: silorane) and photoactivation techniques (OC: occlusal photoactiv...