31 datasets found

This record contains three datasets and the scripts used to generate figures in "Expanding density-correlation machine learning representations for anisotropic coarse-grained...

The Random-Phase approximation (RPA) provides an appealing framework for semi-local density functional theory. In its current formulation, it is cost-effective and has a better...

The Random-Phase approximation (RPA) provides an appealing framework for semi-local density functional theory. In its current formulation, it is cost-effective and has a better...

Radio-frequency muon spin resonance is a powerful technique for studying free radicals and their reaction kinetics, but it has not yet been used to study complex reactions in...

Diffusion of a range of cyclic hydrocarbons relevant to the nylon production process will be measured in the potential catalyst Pt/MCM-41 in the context of the benzene...

This proposal is part of a broad programme of collaborative research between RAL / Oxford and Unilever, using predominantly scattering techniques to investigate the nature of...

Liquid phase heterogeneous catalysis makes up one the largest proportions of chemical industry. The catalysed phenyacetelene hydrogenation reaction is of great interest as it is...

Many room temperature ionic liquids (salts with melting points near room temperature that hereafter will be referred to as ionic liquids) are ¿green solvents¿ for chemical...

Using muon spin relaxation and ALC resonance spectroscopy the electron spin relaxation and mobility of the polymer P3HS will be measured as a function of temperature. The...

Liquid phase heterogeneous catalysis makes up one the largest proportions of chemicalindustry. The catalysed phenyacetylene hydrogenation reaction is of great interest as it is...

The recovery of the muon polarization in a longitudinal magnetic field has been used to obtain the muon hfcs of organic radicals. In pure benzene there is a single step in the...

Porous materials impregnated with metal nanoparticles are extremely useful in catalysis, an industry that had a global turnover in 2010 of over three trillion dollars....

Catalysis is defined as the increase of the rate of the reaction or directing the reaction to one of the thermodynamically permitted pathways that lead to different products. It...

This proposal aims to study the potential for neutron diffraction to offer spatially-, chemically-, and temporally-resolved information on a dynamic system, in this case the...

The main spectroscopic technique for studying radicals in solids and liquids, ESR, cannot usually be used to study radicals of more than 3-5 atoms in the gas phase due to strong...

The properties of liquids confined in zeolites will be studied by quasi-elastic neutron scattering. Alongside the data previously acquired using quasi-elastic neutron scattering...

This proposal is part of a broad programme of collaborative research between RAL / Oxford and Unilever, using predominantly scattering techniques to investigate the nature of...

Asphaltenes are the heaviest end of crude oil and are responsible for a multitude of engineering challenges. They can precipitate from the oil, depositing, blocking pipelines...

Understanding of chemical reactivity is founded on the fundamental concepts of Electrophilicity and Neucleophilicity. All extant attempts to do this depend on the reaction of...

Ionic liquids (ILs) have been extensively studied for liquid¿liquid extractions and have recently been examined for the purification and separation of crude oil components. Of...