Motivated by the recent resonant x-ray scattering (RXS) and resonant inelastic x-ray scattering (RIXS) experiments for electron-doped cuprates, we study the charge excitation spectrum in a layered t-J model with the ...

The oxyborate Fe3O2BO3 presents a charge density wave (CDW) transition close to room temperature. As we show here, this is associated with a well defined anomaly in the specific heat. Below this transition, when applying ...

The TKSAMC is a web server which calculates protein charge–charge interactions via the Tanford–Kirkwood Surface Accessibility model with the Monte Carlo method for sampling different protein protonation states. The ...

In this work we have studied the electronic structure of finite polyacetylene chains with structural oxygen-bonding models following data from 13C-NMR experiments. We have used a combination of Austin Method One and ...

The structure of several crystalline Ni(II)-Al(III) and Mg(II)-Al(III) layered double hydroxides (LDHs) intercalated with nitrate anions was studied as a function of the relative humidity. For low charge density LDHs, the ...

The structure of the complex (PHL)2S. HN(C6H5)2 has been determined by single-crystal X-ray diffraction methods. The compound crystallizes in the triclinic system, space group P 1, with unit cell dimensions a = 896. 1, b ...

Using an effective two-body interaction potential, a molecular dynamics study of the structural properties of amorphous ZrF4 phase is presented. The effective pair potential includes steric repulsion, Coulomb interaction ...