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Revising the onset of anharmonicity in proteins
Our previous INS studies of ¿dry¿/hydrated apoferritin show that the hydrated protein undergoes a dynamical transition, Td, at 200K. Such behavior, first modeled by Doster et al... -
Cation reorientation dynamics in a hybrid Prussian blue analogue
The cubic pores in many Prussian blue analogues are big enough to contain organic cations. In the material (HIm)2K[Fe(CN)6], the imidazolate guest cation is free to rotate in... -
Molecular dynamics in the Metal-Organic Framework [CH3NH3][Co(COOH)3]
Magnetic hybrid organic-inorganic Perovskites have attracted much attention lately as they potentially show a magneto-electric coupling, thanks to the strong interaction between... -
Lattice dynamics of ice XVII filled with monatomic and diatomic gases
The discovery of metastable ice XVII, which has a porous structure, suitable to be filled with hydrogen and other gases, has prompted our group to measure on TOSCA neutron... -
Orientational and conformational disorder in a halogen-ethane compound
The translational and orientational disorder of some liquids can be frozen if they are cooled down quick enough, giving rise to a Structural Glass (SG). But for some molecular... -
Recovery and characterisation of high-pressure phases in the systems H2O ¿ NH...
The objective of this experiment is to characterise four particular high-pressure polymorphs of various hydrates discovered by us in recent years during work carried out using... -
Structural and Magnetic Properties from Charge Orders in Iron Perovskite Oxides
Highly oxidized transition metal cations in oxides tend to display unusual electronic and magnetic behavior due to the highly covalent nature of the M-O interactions. Iron is of... -
Relaxation dynamics of a Dy-based single molecule magnet
Single-molecule magnets (SMM) exhibiting slow magnetic relaxation have attracted increasing interest, both from a fundamental point of view, and for the potential practical... -
Crystal field excitations on Sm based pyrochlores
The A2B2O7 pyrochlore family, where A is a rare earth ion and B=Ti, Sn, is one of the most prolific series of compounds presenting magnetic frustration. The geometric Fd-3m... -
Search for new hydrogen, helium and neon hydrates at high pressure
This proposal is for time to search for predicted gas hydrates at high pressure. The results will provide insight into the factors governing the stability of the H-bonded... -
Spin dynamics in the zig-zag ladder beta-CaCr2O4
We propose to investigate the spin dynamics in the frustrated antiferromagnet beta-CaCr2O4. Its structure consist in one dimensional chains of Cr+3 forming the legs of zig-zag... -
Local structure of deuterated perovskite methylammonium lead iodide CD3ND3PbI3
Methylammonium lead iodide has recently been recognised as an excellent photovoltaic material, with energy conversion efficient of up to 15% with the prospect of gaining higher... -
Hydrogen Bonding Effects on the Nucleophilicity and Basicity of Fluoride Anio...
In nucleophilic fluorination reactions, developing strategies for tuning the reactivity profile of fluoride anion in organic solution is a major challenge. Inspired by Nature¿s... -
Which is it? ¿ Neutrons distinguish monolayers xrays can¿t.
We have obtained the monolayer structure diffraction patterns from several iodoalkanes adsorbed on graphite, of interest in the study of non-covalent bonding. However, it is... -
Crystal field excitations in SrTb2O4
SrTb2O4 belongs to the family of rare-earth RE strontium oxides, SrRE2O4. These compounds, consisting of hexagons and triangles, are affected by geometrical frustration and... -
How Encapsulated is a Sodide? Li+Na--EtNH2 vs Li+e--EtNH2
We have recently begun to look at how large, polarisable alkalides (group 1 metal anions) are solvated in solution. This proposal aims to determine how ethylamine is able to... -
Structural study of oxygen ion conduction in microporous Mayenite
The crystal unit cell of mayenite, 12CaO.7Al2O3, consists of a cubic lattice of [Ca24Al28O64]4+ with the remaining 2*O2- contained in cages, which are linked by channels within... -
Unravelling the ageing mechanims of dry seeds: molecular mobility within biol...
Faster-than-expected ageing is observed in some seeds (e.g. orchids, coffee, citrus, willows) stored dry at -20°C, the standard temperatures of seed banks. This ageing has been... -
Molecular and framework dynamics in CH3NH3PbBr3 - a high resolution experimen...
Organic-inorganic perovskites have recently been shown to be potentially efficient and inexpensive photovoltaics. These materials undergo a series of structural transitions and... -
Structural relaxation in LiCl 6D2O
We propose to measure the structural relaxation in this prototype glass former. The structural ralaxation time will be obtained at the structure factor maximum. We suppose that...