24 datasets found

Set of inputs to perform the calculations reported in the paper. The i-pi input enables to perform molecular dynamics / metadynamics / REMD / PIMD simulations, with adequate...

Set of inputs to perform the calculations reported in the paper. The i-pi input enables to perform molecular dynamics / metadynamics / REMD / PIMD simulations, with adequate...

Set of inputs to perform the calculations reported in the paper. The i-pi input enables to perform molecular dynamics / metadynamics / REMD / PIMD simulations, with adequate...

In the pursuit of selective conversion of methane directly to methanol in the liquid phase, a common challenge is the concurrent formation of undesirable liquid oxygenates or...

Previously we have examined the interaction of barley non-specific lipid transfer protein (nsLTP1) with OTS and lipid monolayers at the solid/liquid interface. Examining the...

Recent experiences applying INS to examine a series of nickel-based methane reforming catalysts have enabled a generic experimental methodology to be developed. In collaboration...

The Earth¿s climate is strongly influenced by clouds. The oxidative processing of pollutants in clouds affects cloud droplet size and optical properties, important climatic...

Hydroxyl radicals may be used as disinfection agent in the advanced oxidation processes or tertiary treatment of waste and occasionally drinking water. In this exploratory work,...

The Earth¿s climate is strongly influenced by clouds. The oxidative processing of pollutants in clouds affects droplet size and optical properties, important climatic effects....

Adsorption of a charged polyelectrolyte onto an oppositely charged substrate is important for the understanding of many natural molecular events as well as for the development...

Hydrogen Peroxide is one of the cleanest, most versatile strategic base chemicals available. It is used at the large scale as oxidising agent in the chemical industry, as a...

The Earth¿s climate is strongly influenced by clouds. The oxidative processing of pollutants in clouds affects droplet size and optical properties, important climatic effects....

Oxidation of atmospheric aerosol can produce cloud condensation nuclei capable of changing the reflectivity and lifetime of clouds. The oxidation of organic film on atmospheric...

Microwave (MW) assisted chemical reactions are of interest as a green, energy efficient alternative to conventional thermal heating for chemical processes. MW irradiation...

Atherosclerosis is the leading cause of death in western society, its consequences such as strokes and heart attacks arise from the build-up of plaques of fat which accumulate...

A theoretical estimate of the H/D exchange rate for an open trough (e.g. D2O in ambient atmosphere, 50% relative humidity) yields an amount of exchanged liquid of the order of...

The separation of particular lipids in cell membranes into liquid ordered and liquid disorder regions is thought to have a major influence of the functioning of membrane...

The oxidation of membrane lipids by reactive Oxygen Species, ROS, is implicated in cell apoptosis, cancer and ageing. We have performed preliminary experiments studying the...

We plan to study the non-thermal microwave (MW) effects on H2O2 through its reaction with muonium under MW irradiation. The key objectives are 1) for the first time definitively...

Hydroxyl radicals may be used as disinfection agent in the advanced oxidation processes or tertiary treatment of waste and occasionally drinking water. We very recently oxidised...