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Radiation induced hydrogen abstraction - A combined X-ray and neutron diffrac...
X-ray induced radiation damage drastically limits the structural information accessible in diffraction experiments from macromolecules at 3rd generation synchrotrons. Relatively... -
Single Crystal Investigations of Polymorphism and Disorder in CH3NH3PbI3
Photovoltaics are one of the most promising technologies for meeting future energy requirements. CH3NH3PbI3 was first used in a solar cell in 2009, which gave an efficiency of... -
High Pressure Neutron Diffraction Study of the Organic-Inorganic Perovskite P...
The organic-inorganic perovsike (OIP) methylammonium lead iodide, MAPbI3, has been identified as a promising candidate for the development of efficient solid-state solar cells.... -
Tuning the proton behaviour of a short strong intermolecular hydrogen bond as...
We have created very short intermolecular hydrogen bonds in benzoic acid "dimers" by co-crystallisation of these into molecular complexes with the proton sponge... -
Looking for potential diffuse scattering in a large crystal of green dioptase
This dataset has no description
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Crystal quality verification of K0.3MnO3
This dataset has no description
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Phonons from diffraction and normal mode analysis in HMT
With the overall aim of extending the information derivable in a neutron single crystal diffraction experiment beyond the static structure, we are proposing to perform a... -
Structural Investigations of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 Piezoel...
Discovery and development of advanced materials requires understanding and control of the relationship between composition, structure and function. In crystalline materials,... -
Two-Dimensional Incommensurate Modulation in Melilite
We have prepared large single crystals of the melilite electroltyes Ln1+xCaxGa3O7+d; (Ln = La and Nd; x = 0 and 0.5) using a floating zone mirror furnace. We have characterised... -
CPRO#1 T=300K wtl=10.0 j:14,14
This dataset has no description
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Combined neutron and X-ray single-crystal diffraction studies of selected 2-p...
Hydrozones and their metal complexes exhibit subtle redistribution of electron density as a function of substitution, type of the metal center and intermolecular interactions.... -
The effect of H/D isotopic replacement on the topology of the electron densit...
The Quantum Theory of Atoms in Molecules (QTAIM) is the quantum mechanical way of looking at molecular structures and bonding. Developed by Richard Bader, QTAIM is built on... -
All-trans Retinal T=100K wtl=10 j:14,14
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Hydrogen-bond ordering in hexamethylenetetramine hexahydrate as a function of...
The title compound, more succinctly referred to as HMT-hydrate, is a rare example of a water-framework zeolite structure with an organic guest molecule hydrogen bonded to the... -
Pressure Effects on Proton Migration 3,5-pyridinedicarboxylic Acid
Hydrogen bonds are ubiquitous in materials across the chemical spectrum, from inorganic to biological. They influence the structure, the functionality, and therefore the... -
Magnetism and structural diffuse scattering in α-CoV3O8:
We propose to measure the magnetic structure and diffuse scattering in a Vanadium Bronze material α-CoV3O8. These materials are of interest due to possible applications for... -
Crystal structures of Na2MoO4.10H2O, Na2WO4.10H2O and Na2MnO4.10H2O.
Chemical substitution is a valuable technique for probing the behaviour of materials since this exerts a stress comparable in many respects to changes in pressure or... -
Chemical effect on elastic properties in hexa-alogenated-benzenes
Benzene is the parent compound of organic solids based on C-H...pi interactions that have been used in organic field effect transistors. Any change in the C-H...pi interactions... -
Single Crystal Scattering Study of 163-Dy2Ti2O7 Using SXD
Spin ice materials are a class of compounds with exotic magnetic properties, resulting from the frustration. Magnetic monopoles have been detected at low temperature; manifest... -
Determination of the crystal structure of CsNiCl3 and RbNiCl3 under hydrostat...
This dataset has no description
