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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... -
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.... -
CPRO#1 T=300K wtl=10.0 j:14,14
This dataset has no description
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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... -
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,... -
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... -
Crystal quality verification of K0.3MnO3
This dataset has no description
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Looking for potential diffuse scattering in a large crystal of green dioptase
This dataset has no description
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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... -
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.... -
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... -
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...