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The redox properties of monolayer-protected gold nanoclusters (MPCs) are considered from both the theoretical and experimental viewpoints. The “absolute standard redox potential” ([ ]abs) of MPCs is first derived from electrostatic considerations. A linear ...
yWe develop a semi-empirical many-body interatomic potential suitable for large scale molecular dynamics simulations of magnetic a-iron. The functional form of the embedding part of the potential is derived using a combination of the Stoner and the Ginzbur ...
This paper introduces a personalized content preparation and delivery framework for universal multimedia access. This framework has a wealth of potential applications in broadcasting, the World Wide Web and mobile telecommunication. Content preparation dea ...
Owing to its porous cellular structure and polymeric components, wood can be easily shaped in its transversal direction when it is heated and has sufficient water content. Thanks to this thermohydrous behaviour many manufacturing processes such as densific ...
The Nanostencil technique is an emerging nanopatterning method based on shadow mask evaporation. Micro and sub-micron apertures (down to 100-nm scale) are patterned in 100-500 nm thick low-stress silicon nitride membranes. The membrane is brought in close ...
A novel experimental apparatus to study the dynamics of photodissociation and photoionization processes in the interior or at the surface of helium droplets by means of imaging techniques has been designed, built and characterized. This molecular beam mach ...
The issue of protein dynamics and its implications in the biological function of proteins are arousing greater and greater interest in different fields of molecular biology. In cryo-electron tomography experiments one may take several snapshots of a given ...
This paper reports the continuation of the authors' work in the field of linear and rotary submicrometric positioning using electrostatic glass motors. Electrostatic glass motors, a recent development where a glass rotor, once polarized using a static elec ...
The optical properties of mols. in complex environments were studied within hybrid time-dependent d. functional theory / mol. mechanics (TDDFT/MM) simulation studies. The potential energy surface in the excited state is described within time-dependent d. f ...
We study the propagation of brittle fractures coupled to large out-of-plane bending, as when a brittle elastic thin sheet is cut by a moving object. Taking into account the separation of the film’s bending and stretching energies and using fracture theory ...
