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The aug-cc-pVTZ-J series of basis sets for indirect nuclear spin-spin coupling constants has been extended to the atoms B, Al, Si, P, and Cl. The basis sets were obtained according to the scheme previously described by P...

We report on the structural characterization of the mullite-type PbAl1-xMnxBO4 series using neutron, synchrotron and in-house X-ray powder diffraction, Raman spectroscopy and density functional theory (DFT) calculations....

A comprehensive study of the structural, cohesive and electronic properties of several stable, metastable and non-stable intermetallic phases (IPs) of the Ni–In and Ni–Sn systems have been performed by ab initio dens...

We study the Schrödinger equation with 1/r^{3} and attractive 1/r^{2} potentials. Using the quantum defect theory, we obtain analytical solutions for both repulsive and attractive 1/r^{3} interactions. The obtained dis...

Este trabajo pretende una primera aproximación a la descripción fonológica del rromanés de la comunidad gitana rrom bolochók de la ciudad de Cúcuta (Colombia). Para lograr el objetivo propuesto inicialmente se pres...

We describe the available experimental data for the dielectric, piezoelectric, and elastic characteristics of the antiferroelectric crystals, using the proposed microscopic theory. Within the framework of the thermodynam...

We obtain, using semianalytical transfer operator techniques, the Edwards thermodynamics of a one-dimensional model of blocks connected by harmonic springs and subjected to dry friction. The theory is able to reproduce t...

In this work, we conducted the first principle calculation of electronic structure and transport properties of [NH3-(CH2)3-COOH]2CdCl4 (Acid-Cd). The generalized gradient approximation is used in structural optimization ...

The main objective of this research paper is to examine the impact of board size and ownership concentration, representing corporate governance mechanisms, on agency costs in large Croatian companies. Furthermore, debt...

In the present work, density functional theory (DFT) calculations using cluster and slab models were performed in order to study the adsorption of Al dimer on a monovacancy of graphene. With cluster models, two different...

Este artículo se enmarca en las preguntas e inquietudes de investigación en torno a la persistencia y ruptura de imaginarios estatales producidos por la institución policial acerca de los vínculos entre inmigración ...

Evolutionary biology has been a stage of debates between neo-Darwinian and neo-Lamarckian theories. Neo-Darwinism explains every evolutionary process in terms of the selection of random genetic variations. Thus, whatever...

Abstract Normally the physical dimensions of the taper transition that realizes the impedance matching between the impedance of the feeding line built in microstrip line technology and the impedance of the component buil...

The rules of thumb can be found in several flight instructions or pilot's handbooks. Thus far, available rules have been presented without proof or a valid range, such as altitude or velocity ranges wherein these rules c...

Apesar de os dois teóricos sociais da linguagem, Bakhtin e Labov, serem oriundos de tradições diferentes - filosófica e empírica, respectivamente -, o artigo mostra a comparabilidade das duas abordagens, em termos d...

Coupling between electromagnetic cavity fields and fluorescent molecules or quantum emitters can be strongly enhanced by reducing the cavity mode volume. Plasmonic structures allow light confinement down to volumes that ...

On 8th November 2013, with great sadness we said goodbye to our dear Master and Teacher, Professor Zdzisław Hellwig. He walked away from us forever. Professor Zdzisław Hellwig (1925 – 2013) was a great man with impre...

Abstract Oceanographic observations have revealed that basin‐scale Rossby waves can travel at speeds systematically exceeding values predicted by linear theory based on the flat‐bottom approximation. Using the recent...

Thanks to the ultrahigh flexibility of 2D materials and to their extreme sensitivity to applied strain, there is currently a strong interest in studying and understanding how their electronic properties can be modulated ...

Employing the Wien2k code, first-principles calculations within the full potential linearized augmented plane wave (FP-LAPW) method and density functional theory (DFT) framework were utilized to determine lattice constan...

The structural properties of single component fluids of hard hyperspheres in odd space dimensionalities d are studied with an analytical approximation method that generalizes the rational function approximation earlier i...

In this paper we study the stability of one non-linear autoregressive model with hyperbolic triangle function polynomial with hyperbolic tangent function (singular point and it's stability conditions and the stability of...

The secular approximation of the hierarchical three body systems has been proven to be very useful in addressing many astrophysical systems, from planets to stars to black holes. In such a system, two objects are on a ti...

The IR spectrum of hollow spherical molecule (SiO2)20(H2O)10 have been calculated within harmonic approximation using density functional theory method (exchange-correlation functional B3LYP and basis set 6-31G (d, p)) an...