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We explore the use of PDE constrained nonlinear optimization techniques to optimize and design electromagnetic crystals which exhibit frozen mode behavior. This is characterized by Van Hove singularities in the dispersion relation, e.g., stationary reflect ...
We demonstrate that it is possible to combine several small metallic particles in a very compact geometry without loss of their individual modal properties by adding a gold metallic film underneath. This film essentially acts as a "ground plane" which chan ...
Computations on the reaction of azetidin-2-one, N-sulfonate azetidin-2-one, and 3-formylamine-N-sulfonate azetidin-2-one with [Mo(OH)(eta(3)-C3H5)(CO) 2(N2C2H4)] were performed at the B3LYP/6-31 + G(d,p) (LANL2DZ for Mo augmented by f polarization function ...
This paper reports on an accurate and rapid method to compute the onset voltage for a single or for an array of electrospray emitters with complex geometries and on the correlation of the simulation with experimental data. This method permits the exact det ...
This work describes the synthesis and characterization of boronic acid-based supramolecular structures. Macrocycles, dendritic structures, polymers, rotaxanes, and cages were assembled using four types of reversible reactions. The key point of the strategy ...
A novel ligand, H12L, based on a trimethylbenzene core bearing three methylenediethylenetriamine-N,N,N,N- tetraacetate moieties (–CH2DTTA4–) for Gd3+ chelation has been synthesized, and its trinuclear Gd3+ complex [Gd3L(H2O) 6]3– investigated with respect ...
The cytotoxicities of the large cationic arene-ruthenium prismatic cage [Ru6(p-iPrC6H4Me)6(tpt)2(dhbq)3]6+ (tpt = 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine, dhbq = 2,5-dihydroxy-1,4-benzoquinolato; 16+), and its "complex-in-a-complex" derivs. [(acac)2M-1]6+ ...
We present a high-order nodal Discontinuous Galerkin Finite Element Method (DG-FEM) solution based on a set of highly accurate Boussinesq-type equations for solving general water-wave problems in complex geometries. A nodal DG-FEM is used for the spatial d ...
We present an approach for unsupervised segmentation of natural and textural images based on active contour, differential geometry and information theoretical concept. More precisely, we propose a new texture descriptor which intrinsically defines the geom ...
It is well known that the electrostatic repulsions between charges on neighboring sites decrease the effective charge at the surface of a charged nanoparticle (NP). However, the situation is more complex close to a dielec. discontinuity, since charged site ...