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Pipeline networks are the dominant mode of conveying a wide variety of oil refined products from refineries to distribution terminals. Pipeline infrastructure usually comprises trunk lines serving high-volume, long-haul ...

The exploration of TiO2 surface reactivity from first-principles calculations has been almost always limited to the gas phase, even though most of the chemically relevant applications of this interface involve the solid-...

Copper nanoparticles on activated carbon have been found to effectively catalyze the multicomponent synthesis of β-hydroxy-1,2,3-triazoles from a variety of epoxides and alkynes in water. The catalyst is easy to prepare...

Infrared spectroscopic studies of a UVA irradiated layer of TiO2 nanoparticles in contact with an aqueous solution free of any photocatalytic degradable compound showed that a volume of water is incorporated in the layer...

Pharmaceuticals can exist in many solid forms, which can have different physical and chemical properties. These solid forms include polymorphs, solvates, amorphous, and hydrates. Particularly, hydration process can be qu...

The relative stability of nine different well defined CeO2 surfaces has been studied by periodic density functional calculations using GGA + U and B3LYP exchange-correlation functional. Both methods consistently predict ...

A systematic analysis of defect textures in faceted nanoparticles with polygonal configurations embedded in a nematic matrix is performed using the Landau de Gennes model, homeotropic strong anchoring in a square domain...