Theoretical descriptions of alkylidene chalcogen difluorides have been performed on their planar (1-3) and bent (4-6) conformations. The planar T-shaped conformations were the most stable ones, from the calculations performed (Gaussian-G2 and B3LYP/6-311+G). The bonding nature of the T-shaped (C(2)(v)()) structures has also been analyzed by means of the atoms in molecules (AIM) theory and elect...

It is shown that the inclusion of excited ionic configurations in the diatomics-in-molecules (DIM) Hamiltonian serves as a natural means to account for main features of non-additivity in three-body potential energy surfaces of He-CI 2 and Ar-CI 2 van der Waals complexes. For ground state C12(1Eg), while consideration of only neutral configurations leads to T-shaped isomers, inclusion of the exc...

Tubular colonic duplication presenting in adults is rare and difficult to diagnose preoperatively. Only a few cases have been reported in the literature. We report a case of a 29-year-old lady presenting with a long history of chronic constipation, abdominal mass and repeated episodes of abdominal pain. The abdominal-pelvic computed tomography scan showed segmental bowel wall thickening thought...

We use intense femtosecond laser pulses to multiply ionize and directly image the structures of N(2)Ar, O(2)Ar, and O(2)Xe dimers by coincidently measuring the momenta of the fragment ions. All these dimers are found to have an equilibrium T-shaped structure in which the bond of the diatomic molecule is perpendicular to the dimer axis. The equilibrium distance between the rare-gas atom and the ...

In this paper, a modified square monopole antenna with multi-resonance performance, for UWB applications is proposed. The proposed antenna consists of a square radiating patch with a pair of T-shaped slots and a ground plane with a pair of rectangular sleeve and a T-shaped resonator which provides a wide usable fractional bandwidth of more than 125% (3.05–13.57 GHz). By optimizing dimension of ...

Anion photoelectron spectra are presented for the halide-acetylene complexes, X– · · · C2H2 where X = Cl, Br, and I. Electron binding energies are determined to be 4.1, 3.8 and 3.4 eV respectively. Results from CCSD(T) calculations are presented for the neutral halogen-acetylene complexes. Two minima are predicted corresponding to a linear C∞v and T-shaped C2v geometry, with the T-shaped geomet...

introduction: the purpose of this in vitro study was to compare the accuracy of working length determination using the apex locator versus conventional radiography in c-shaped canals. methods and materials: after confirming the actual c-shaped anatomy using cone-beam computed tomography (cbct), 22 extracted c-shaped mandibular second molars were selected and decoronated at the cemento-enamel ju...

Several maze shapes are used to test spatial navigation performance and behavioral phenotypes. Traditionally, each experiment requires a unique shape, thus requiring several separate mazes in different configurations. The geometry cannot be reconfigured single environment accommodate scalability reproducibility. reconfigurable is approach address the limitations, allowing quick flexible configu...

We develop a model for disease spreading in networks in a manner similar to the kinetics of crystallization of undercooled melts. The same kind of equations can be used in ecology and in sociology studies. For instance, they control the spread of gossip among the population. The time t dependence of the overall fraction a(t) of an infected network mass (individuals) affected by the disease is r...

Dimers of several polycyclic aromatic hydrocarbons (PAHs): naphthalene, anthracene and pyrene have been investigated by symmetry-adapted perturbation theory based on the density functional description of the monomers [SAPT(DFT)]. Calculations have been performed for a number of radial cross-sections of selected stacked and T-shaped configurations. The interaction energies at the minima of stack...