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Massively parallel implementation of gradients within the Random Phase Approx...
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... -
Massively parallel implementation of gradients within the Random Phase Approx...
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 interaction of C6Hx (x = 6, 8, 10, 12) with Raney Ni
Fuels such as diesel contains different kinds of aromatic and poly aromatic compounds, which on their combustion emits environmental pollutants such as SOx, NOx, COx, and... -
Gamma Dopplerimetry of a Physisorbed Halogen Bonded Network on Graphite
This dataset has no description
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Frustration, quantum spin ices and quantum diffusion
This proposal aims to characterise the spin dynamics of three Pr-based pyrochlores that may be realisations of quantum spin ice materials. The lower moment and larger wave... -
How do rotational and translational diffusion influence each other for benzen...
The benzene/graphite diffusion is highly interesting as a model system for diffusion of physisorbed molecules in general and for the understanding of lubrication in carbon... -
Spin relaxation of short-lived spin-labelled radicals in solution
The spin relaxation rates of free radicals in solution can provide valuable information about the dynamics of molecular tumbling in solution, and solvent-radical interactions.... -
MUSR studies in the spin ferromagnetic Nd0.75Gd0.25Rh3B2 and Nd0.8Tb0.2Al2 al...
We propose to characterize the two magnetic transitions in Nd0.75Gd0.25Rh3B2 and study the spin dynamics and field induced domain rotation via zero field (ZF) and longitudinal... -
In situ study of destruction of a denatured surface protein by protease (Savi...
New detergents will increasingly rely on sustainable products and the use of enzymes will become ever more important. However, the process of destruction of stains (often... -
Structural characterization of the interactions between Ionic liquids and MOFs
This proposal aims to extend our understanding of ionic liquid structure and determine the effect of confinement on short alkyl chain length ionic liquid within a well ordered... -
Diffraction investigation of cyclic molecules on surfaces of different symmetry
The wetting of solid surfaces by gases and liquids is both fundamentally and technologically important especially in the areas of energy storage and conversion, e.g. catalysis.... -
ALC studies of solid benzene
For muoniated radical spectroscopy studies, benzene has long been the classic prototype system. However most of these studies have been at higher temperatures, often in the... -
Repolarization of Radicals in Liquids (RB920344)
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... -
Protic Ionic Liquid ¿ Benzene Interactions
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... -
Towards a Method of Quantifying Electrophilicity and Nucleophilicity
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... -
Structure of Petroleum Asphaltenes in Solution
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... -
Complex evolution of solution microstructure in LAS / nonionic surfactant mix...
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... -
Investigating the diffusion of liquids within the MFI zeolite ZSM-5
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... -
RF MuSR in the gas phase: the Search for a Radical State
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... -
Spatial, Chemical, and Temporal Resolution of Platinum-Catalysed Benzene Conv...
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...