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The Effect of Hydrogen Bonding on the Nucleophilicity and Basicity of Fluorid...
In nucleophilic fluorination reactions it is extremely difficult to tune the reactivity of the fluoride anion in organic solution to give the desired product. Building on our... -
NdB4 cooling to 10K wtl=0 j:8,8
This dataset has no description
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Proton transfer in croconic acid
Croconic acid has recently emerged as the first example of an above room-temperature organic single component ferroelectric. Our goal is to determine its crystal structure at... -
Diffuse scattering studies of squaric acid in an applied electric field
Organic ferroelectric compounds such as KH2PO4 and squaric acid, have attracted much interest in the past due to their potential in applications [1]. This interest has been... -
Characterising anion binding by analysis of the electron density distribution
The aim of our work is to use charge density analysis to gain insight into the process of binding relatively small anions by specifically designed small organic molecules. These... -
Investigating the origin of thermochromism in N-salicylideneanilines
Anils, N-salicylideneanilines, display thermochromism, which is thought to involve an intramolecular proton shift, but to-date the structural changes postulated to occur during... -
Investigating thermal and light-induced spin crossover using neutron photocry...
Photocrystallography, a rapidly developing area in dynamic structural science, allows photoinduced structural changes and transient species to be studied. X-ray techniques have... -
Anomalous magnetism in oxygen-deficient scandium-doped spin ice
Our previous diffuse neutron scattering experiment on SXD showed that oxygen vacancies are the dominant defects in spin ice. The substitution of tetravalent titanium by... -
Ordered structures in the new Topological Insulators
We propose to investigate the structure of the new ¿ordered¿ phases within the Bi2Se3-Bi2Te3 phase diagram of the newly discovered Topological Insulators. The bulk properties of... -
Single crystal diffraction study of magneto-electric Er2BaNiO5
Er2BaNiO5 has been reported recently as a magneto-electric material, displaying a spontaneous polarization at T=55K, followed by a transition to a collinear antiferromagnetic... -
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... -
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... -
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,... -
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,... -
Exploring the metal-insulator transition in Ca2RuO4
Ca2RuO4 is a fascinating compound, where strong electronic correlations give rise to many unique features. Just above room temperature (~360 K) the system is metallic, below the... -
Determination of the low temperature crystal structure of Fe3O4
The aim of this proposal is to determine the crystal structure of Fe3O4 (magnetite) in its low temperature phase below the Verwey transition. Despite a considerable amount of...
