N‐Inversion in N‐phenyloxaziridine: substituent and solvent effects via density functional theory

In this work, using density functional theory, the kinetic effects of the substitution of a t‐butyl group and\or the incorporation of an oxygen atom, and both, at the aziridine ring moiety were investigated for N‐inversion in N‐phenylaziridine. Then, for N‐inversion in 3‐t‐butyl‐N‐phenyloxaziridine, the kinetic Hammett substituent effects were studied using the different para‐substituted groups on the N‐phenyl ring moiety. The natural bond orbital (NBO) study was the last case in this work. The calculations were performed in the gas phase and solution (in carbon tetrachloride and dichloromethane). The incorporation of an oxygen atom in the aziridine ring strongly weakens the N‐inversion process. In addition, while both t‐butyl substituent and solvent slightly reinforce the N‐inversion of N‐phenyloxaziridine, in N‐phenylaziridine, they decrease the N‐inversion rate to some extent. In both phases, more pronounced in solution and especially in dichloromethane, and in agreement with the NBO results, the electron‐withdrawing groups on para position of the N‐phenyl ring strongly increase the rate of N‐inversion of 3‐t‐butyl‐N‐phenyloxaziridine molecule.     

Boundary Behavior of Functions in the de Branges–Rovnyak Spaces

This paper deals with the boundary behavior of functions in the de Branges–Rovnyak spaces. First, we give a criterion for the existence of radial limits for the derivatives of functions in the de Branges–Rovnyak spaces. This criterion generalizes a result of Ahern–Clark. Then we prove that the continuity of all functions in a de Branges–Rovnyak space on an open arc I of the boundary is enough to ensure the analyticity of these functions on I. We use this property in a question related to Bernstein’s inequality. Received: May 10, 2007. Revised: August 8, 2007. Accepted: August 8, 2007.     

An efficient explicit framework for determining the lowest structural buckling load using Dynamic Relaxation method

This paper develops an e?cient explicit algorithm for calculating buckling load of structures. Here, the modified Dynamic Relaxation method is utilized so that the first structural buckling load is achieved. The proposed algorithm does not require solving any eigenvalue problem and runs by full vector and iterative operations. Moreover, the suggested procedure is general so that it could be utilized for both symmetric and unsymmetric structures without any additional calculations. For numerical verification, some columns and portal frames are analyzed and the calculated buckling loads are compared with the exact solution and other available approaches. Results show that the proposed algorithm has suitable accuracy and e?ciency that is useful for determining the lowest buckling load of each structure. Moreover, the effect of initial imperfection and time step size on the suggested framework is studies numerically.     

The Eigenvalues of a Class of Elliptic Differential Operators

Consider $\left(M,g\right)$ as an $n$-dimensional compact Riemannian manifold. In this paper we are going to study a class of elliptic differential operators which appears naturally in the study of hypersurfaces with constant mean curvature and also the study of variation theory for $1$-area functional.