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Joint Diamond/ISIS proposal 22078
The basis of a biological cell membrane is a lipid bilayer containing functional proteins. Its purpose is to form a selective barrier that separates the aqueous fluids inside... -
Local structure, dynamics and magnetism of the phases of cobalt imidazolate
This proposal concerns the metal-organic framework (MOF), cobalt imidazolate. Imidazole (im) is a small, flat organic molecule that forms slightly bent metal-im-metal linkages,... -
Wittig Reaction: Cleaning up 50 years of Waste in Metal-Free Catalysis
Our recent works have solved a 50 yr old problem (in part) with computational steering successfully guiding synthetic work towards a wittig process catalytic in phosphine. The... -
CuH: a continuing (nearly) 200 year old problem (TOSCA)
CuH was first prepared by Wurtz in 1844 by the reaction of aqueous copper sulfate with hypophosphorous acid. Several other routes have been developed including precipitation of... -
Local structure and dynamics in metal-imidazolate frameworks
This proposal aims to study local structure and dynamics in two metal-organic frameworks (MOFs): namely, zinc imidazolate and cobalt imidazolate. Imidazole (IM) is a small, flat... -
Magnetoelectric coupling in the polycrystalline ceramic BiFeO3 - PbTiO3
There are a number of room temperature multiferroics based on BiFeO3. The BiFeO3 - PbTiO3 (BFPT) system shows ferroelectric and antiferromagnetic ordering at room temperature... -
Characterisation of the hydrides in Stryker¿s reagent
In recent years, soluble derivatives of CuH prepared by non-aqueous routes have become important as mild reducing agents, one such compound, Stryker¿s reagent [Ph3PCuI]6. The... -
Determining the Vibrational Frequencies and Lattice Dynamics in Nanoporous Ze...
This proposal will use Inelastic Neutron Scattering (INS) spectroscopy at TOSCA to establish the vibrational frequencies in nanoporous zeolitic imidazolate framework (ZIF)... -
Vacancy clusters and local magnetic structure of wüstite, Fe(1-x)O
The nature and distribution of vacancy defects in wüstite, Fe(1-x)O, is an important problem because the structural and dynamical properties of the mineral - both of which are... -
Characterisation of the impact of weakly polar interactions on the vibrationa...
The present proposal is part of a project to formulate a quantitative synergy between experiment and theory, complimenting the results the applicants have already established in... -
Generalising the link between catalytic activity and low-energy normal modes ...
Our recent theoretical and experimental characterisations of novel Pd N-heterocyclic carbene catalysts showed a clear relation between low-energy normal mode energies and... -
Effect of glycolipids with therapeutic potential on phase behaviour of model ...
alpha-galactosylceramide (a-GalCer) can activate an immune response through a protein-mediated cell signalling event. The effect of a-GalCer on local membrane structure is... -
CuH: a (nearly) 200 year old problem
Copper (I) hydride, CuH, is unique amongst the binary metal hydrides in that it can be synthesised, at room temperature, in aqueous solution. In recent years CuH generated in...
