In this paper we introduce a novel methodology to transmit the origin to the center of a polygon in a molecule structure such that the special axis be perpendicular to the plane containing the polygon. The mathematical calculation are described completely and the algorithm will be showed as a computer program.

Hydrothermal and non-hydrothermal spherical TiO2 nanoporous with crystalline framework were prepared by sol-gel method. The Crystalline structures, morphologies and surface texturing of materials were determined by X-ray diffraction (XRD), scanning electron microscopy (SEM) and N2 adsorption-desorption isotherms. The Hydrothermal spherical TiO2 nanoporous was found to have a narrow and strong p...

Simulations of the structure and dynamics of fluid films confined to a thickness of a few molecular diameters are described. Confining walls introduce layering and in-plane order in the adjacent fluid. The latter is essential to transfer of shear stress. As the film thickness is decreased, by increasing pressure or decreasing the number of molecular layers, the entire film may undergo a phase t...

purpose: to evaluate the role of active uveitis on refractive errors changes. methods: a cohort single group study was conducted on patients with acute or recurrent uveitis. cyclorefraction was performed in both phases of active and quiescent. sphere, cylinder and sphere equivalent power were compared in active and quiescent phases and analyzed statistically. results: sixty-six patients (eighty...

Here, we derive the effective Hamiltonian, HB = − ∑ ij tija † iaj + 1 2 ∑ i6=j Vijninj (Eqn. 3 of the main text). The geometry is shown in the inset of Fig. 1A. The molecules lie in the X-Y plane and are governed by a Hamiltonian Hm = BJ − dE, where E is the applied electric field, which has spherical coordinates (Θ0,Φ0) in the {X,Y, Z} basis. To simplify the notation, we define |↑〉 = s|1,−1〉 +...

The emission characteristics for molecules in a spherical metallic microcavity are computed using a nonlocal electrodynamic model, based on a theory previously published by Fuchs and Claro @Phys. Rev. B 35, 3722 ~1987!# for the multipole polarizability of a sphere. Both radially and tangentially oriented molecules at arbitrary locations inside the cavity are considered, and the results are comp...

By applying the proper stoichiometry of 1:2 to [Cp(R)Fe(eta(5)-P(5))] and CuX (X=Cl, Br) and dilution conditions in mixtures of CH(3)CN and solvents like CH(2)Cl(2), 1,2-Cl(2)C(6)H(4), toluene, and THF, nine spherical giant molecules having the simplified general formula [Cp(R)Fe(eta(5)-P(5))]@[{Cp(R)Fe(eta(5)-P(5))}(12){CuX}(25)(CH(3)CN)(10)] (Cp(R)=eta(5)-C(5)Me(5) (Cp*); eta(5)-C(5)Me(4)Et (...

The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. In this study, the second virial coefficients have been calculated for N2...