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Temperature Dependent Neutron Diffraction Studies on the Phase Transition in ...
Eu2AuGe3 was synthesized by metal flux method. Room temperature single crystal XRD data shows that this compound crystallizes within the orthorhombic Ca2AgSi3 type structure.... -
Evaluation of a low temperature solid-solid phase transition of 4?-hydroxyace...
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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... -
Insight into 4-hydroxyacetophenone polymorphs from single crystal neutron dif...
Beside the lattice energy, vibrational entropy has an important contribution to polymorph stability. We have developed a new method (NoMoRe - Normal Mode Refinement), which... -
Probing the ground state magnetic structure of single crystalline Mn2V2O7
Mn2V2O7 exhibits reversible structural transition from the high temperature monoclinic phase (C2/m) to low temperature triclinic phase (P-1) near room temperature where Mn2+... -
Short range order in triglycine sulphate above the phase transition temperature
We want to better understand the intermolecular interactions in deuterated triglycine sulphate (DTGS). DTGS is a hydrogen bonded ferroelectric with a second-order, order... -
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... -
Uridine 5¿-monophosphate potassium salt [K(UMP)] single-crystal neutron diffr...
To perform charge density studies for a series of uridine 5¿-monophosphate potassium salts which differ one from another due to the different amount of potassium atoms and water... -
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.... -
Correlations between magnetic order and anomalous polarization changes in pyr...
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Superstructures in insulating and metallic lanthanum-doped sodium cobaltate
The thermoelectric properties of NaxCoO2 can be substantially improved by replacing Na ions by cations of higher valence. Our neutron diffraction studies on SXD for doping with... -
C-H and H-H Binding in Coordinatively Unsaturated Ruthenium Carbene Complexes
Removal of the chloride ligand from the neutral N-heterocyclic carbene complex Ru(IPr)2(CO)HCl (IPr = bis(1,3-(2,6-diisopropylphenyl)imidazol-2-ylidene) by NaBArF4 affords the... -
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
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Examining the properties of water channel in an organic matrix.
The objectives are to study the interaction of water molecules held in a channel in an organic matrix. We have structurally characterised a water tetramethylpiperididine complex... -
Neutron diffraction to study short strong hydrogen bonds in organic molecular...
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crystal structure of potential new spin liquid
This dataset has no description
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Crystal quality verification of K0.3MnO3
This dataset has no description
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Accurate H atomic parameters for charge densities in polymorphic materials
Polymorphism is a common feature of many molecular materials The "Holy Grail" would be the ability to predict the appearance of polymorphism in a particular molecular system,... -
Temperature Dependent Single Crystal Neutron Diffraction Study of the Hydroge...
Transition metal hydrides are involved in many stoichiometric and catalytic organometallic reactions, such as hydrogenation. In these reactions the crucial step in the reaction...
