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We present ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local-density approximation at each molecular-dyna...

The optical constants $n$ and $k$ were obtained for the noble metals (copper, silver, and gold) from reflection and transmission measurements on vacuum-evaporated thin films at room temperature, in the spectral range 0.5...

Azotobacter vinelandii was better than either Derxia gummosa or Rhizobium trifolii for sorption of UO2 2+. Its maximum binding capacity was 0.25 mmol UO2 2+/g dry biomass with an affinity constant of 333 l/mmol at pH 4.1...

"The purpose of this paper is to investigate the trace metal content in edible biomonitors (i.e., mollusks) in the Beagle Channel (southern Patagonia) and to assess the human health risks associated with their consumptio...

Materias / palabras clave: Heavy metals; Environmental science; Metal ions in aqueous solution; Environmental chemistry; Waste management; Environmental engineering; Metal; Engineering; Chemistry; Metallurgy; Materials science

Chitosan is increasingly used as an alternative to synthetic polymers due to its water solubility, biodegradability, and biological activity. In this work, chitosan samples from three suppliers were evaluated and charact...

In order to increase the flexibility of renewable energies and improve their integration into existing energy grids, efficient intermediate storage is necessary. High-purity hydrogen produced in a water electrolysis cell...

This chapter presents different phenomena that arise when nanomaterials reach the environment, with emphasis in water systems. Transformations on the surface of nanomaterials and nanoparticles because of adsorption of ma...

In this new edition of their classic work on Cellular Solids, the authors have brought the book completely up to date, including new work on processing of metallic and ceramic foams and on the mechanical, electrical and ...

Abstract A DTPA soil test was developed to identify near‐neutral and calcareous soils with insufficient available Zn, Fe, Mn, or Cu for maximum yields of crops. The extractant consists of 0.005 M DTPA (diethylenetriami...

We present an efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set. In the first part the application of Pulay's DIIS method (direct inversion ...

We present a method for calculating the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations. We used that method in combination with detailed density functio...

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudopotential method. Several specialized topics are ...

Spintronics, or spin electronics, involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. This article reviews the current status of this subject, including both recent ad...

Abstract In the course of an investigation of the effect of surface scratches on the mechanical strength of solids, some general conclusions were reached which appear to have a direct bearing on the problem of rupture, f...