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Scrutinizing the role of the counterion in the axial coordination of the Pd(I...
The solution chemistry of Pt(II) and Pd(II) cations has attracted experimental and theoretical attention because of their relevance in catalytic processes and the... -
Thermal expansion of Mg: pre-melting effects in hcp metals and the Earth's in...
Ab initio computer simulations have suggested that pre-melting phenomena occur in the elastic properties of hcp-iron at the conditions of the Earths inner core just before... -
Thermal expansion of kyanite, andalusite and sillimanite
Al2SiO5 forms three naturally-occurring polymorphs, kyanite, andalusite and sillimanite. These minerals are produced by varying degrees of metamorphism of sedimentary rocks, the... -
Sulfuric acid dihydrate and trihydrate
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Thermal expansion of H and D ice
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Origin of the structural relaxation in ice V and the H/D volume isotope effect
Ice V is disordered monoclinic polymorph of water ice, with a complex structural topology. In our work on ice V (recovered to atmospheric pressure at liquid-nitrogen... -
Crystal structure analysis of new hyperkagome iridates
The interplay between electron correlation and spin-orbit coupling gives rise to a variety of exotic electronic states in 5d transition-metal oxides like iridates. One example... -
Probing the structure of calcium silicates over a wide range of length scales.
Sol-gel derived calcium silicates are of great importance due to their ability to bond to bone and stimulate new bone growth. Diffraction has revealed the atomic-scale changes... -
Diamond Experiment MT20586 "Incommensurate modulation in a multiferroic metal...
The metal formate perovskites have structural chemistry as diverse as their inorganic analogues; yet substantial areas of their phase diagrams, including phases with potentially... -
Structures of phenol-ammonia and phenol-water compounds
Phenol-water and phenol-ammonia clusters are useful model systems for understanding the types of proton-transfer interactions that occur during photosynthesis in plants and... -
Estimating carbon contents within different phases in hypereutectoid steels
Previous studies have attempted to correlate the results of metallography with neutron diffraction studies on the very high-carbon steels used in Oriental blades, and Indian... -
Structural Aspects and Magnetic Order in Fe based perovskite oxide fluorides ...
In this work, we will investigate the structures (crystallographic and magnetic) of Mn5VO8 and a range of Fe containing perovskite oxide fluorides. In terms of the former, this... -
µSR investigation of NaxLi12-xC60
An economy based on hydrogen as an energy carrier is one of the most promising solutions against the greenhouse effect problem, due to the large amount of energy produced by the... -
Rod-to-Sphere Transition in SDS Micelles in Choline Choride:Urea Deep Eutecti...
Our recent work demonstrates that the details of solvent structure around micelles are accessible using Empirical Potential Structure Refinement methods combined with neutron... -
Magnetic Properties of Functionalized Graphene
Recently, we have shown that if the graphene lattice is doped with sulphur, ferromagnetism can emerge once the doping threshold level is overcome [10]. In particular, graphenes... -
Atomic and pore structure of amorphous zeolites
We will investigate a series of amorphised zeolitic solids and determine the short and medium range order structures and more importantly the nature of pore-size when we go from... -
In situ study of the intercalation and exfoliation of black phosphorous
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H/D isotope effect on enantiomers: the case of Alanine
In the current description of any molecular system based on the Schrodinger equation with a Hamiltonian accounting only for the electromagnetic forces, the structural properties... -
Volume isotope effect in recovered ice VIII
Water is the most fundamental hydrogen-bonded compound on Earth and its physical properties are essential for research areas ranging from live sciences to planetology. In this... -
Hidden patterns in Indian sword blades
One of our long-term aims is a detailed study of Oriental Arms & Armour in the Wallace Collection, London (which has over one thousand items, and is the most important...
