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Reversible B-H Bond Activation at Cationic Rh(III) Centres: Structural Charac...
Catalytic processes leading to the functionalization of organic molecules by boron-containing reagents are highly topical ¿ ranging from transition metal catalysed hydro- and... -
Probing the ground state magnetic structure of single crystalline Ho3Fe5O12, ...
Lu and Ho counterparts of RE3Fe5O12 will be an appropriate platform to reveal the complexmagnetic ground state of rare earth iron garnets with common formula RE3Fe5O12. Lu3+... -
Ab-inito lattice dynamics and thermal diffuse scattering in amino acids and p...
We propose to simultaneously collect diffuse and Bragg scattering in the amino acids L-Serine, L-Alanine, and their joint dipeptide L-Alanine-L-Serine hydrate and ask for 8 days... -
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... -
Anisotropic Displacement Parameters and Diffuse Scattering in Graphite
The accurate description of van-der-Waals forces within DFT is currently one of the most active areas of research in computational physics and chemistry. In the case of soft... -
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,... -
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... -
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... -
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... -
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+... -
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... -
Evaluation of a low temperature solid-solid phase transition of 4?-hydroxyace...
This dataset has no description
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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....
