Microkinetic modelling in conjunction with Kinetic Monte Carlo (KMC) simulations were employed to study the direct versus hydrogen-assisted dissociation of CO on iron surfaces. For the activation barriers of the reactions, ...

DFT calculations using the GGA-PBE exchange correlation functional were used to investigate the effect of the hydrogen in the assisted CO dissociation on the Fe(100) surface. The formation mechanisms of the primary products ...

The inorganic fraction of arsenic species, iAs�=�∑[As(III)�+�As(V)] present in fish samples can be quantified in the presence of other arsenic species also found in fishes, such as: monomethylarsonic acid (MMA), ...

© The Royal Society of Chemistry 2015.Carbon monoxide hydrogenation was studied over a γ-alumina-supported 1 wt% Rh catalyst by means of kinetic and in situ infrared measurements. The study was carried out at 200-300 °C, ...

The CO2(g) methanation reaction on Ni, Co and NiCo catalysts was studied experimentally and theoretically. Supported Ni, Co and NiCo catalyst with narrow particle size distribution were synthetized for kinetic, isotopic ...

Estudios espectroscópicos y computacionales permitieron establecer que bisfenol A y o-dianisidina se asocian por puentes de hidrógeno intermoleculares formando un arreglo cíclico asimétrico. Los efectos geométricos y ...