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Structure of hot dense liquid carbon dioxide
We propose to study the structure of liquid CO2 by neutron diffraction under high pressure and high temperatures to 6 GPa / 800 K. Carbon dioxide belongs to the most fundamental... -
Towards a validated standard method for performing DFT calculations of muoniu...
In this proposal we want to address the issue of the identification of the different muonium adducts that are possible in Alq3 without any crystallographic constraints, and... -
Level crossings in open ring molecular magnets
Molecular nanomagnets (MNMs) comprise clusters of exchange coupled transition metal ions which often have a negative anisotropy constant, favouring a ground state with a large... -
Hydrogen Disorder in the molecular complex 5-fluorocytosine: 3,5-dinitrobenzo...
As part of our program in understanding hydrogen bonding systems, exploiting crystal engineering in our synthesis of complexes containing desired HB motifs, we investigate... -
Level crossings in the open ring molecular magnet Cr8Cd
Molecular nanomagnets (MNMs) comprise clusters of exchange coupled transition metal ions which often have a negative anisotropy constant, favoring a ground state with a large... -
Investigating the reduction kinetics of high molecular weight metal oxides in...
There is a pressing worldwide need for research to develop specific sustainable spent fuel reprocessing technologies suitable for minimizing waste from next generation nuclear... -
Magnetic properties of photomagnetic molecular square complexes
This experiment aims at studying the magnetic behaviour of the molecular square complex {[Fe{B(pz)_4}(CN)_3]_2[Co(bik)_2]_2}(ClO_4)_2 . 3H_2O [B(pz)_4 = tetrapyrazolylborate,... -
Understanding the structure of constrained polymer thin-films: ¿artificial an...
The Mayes' group at UEA is world-leading in investigating core-shell nanoparticles as a promising format for 'synthetic antibodies', based on molecular imprinting. One of the... -
Effect of pH on the shape of oil-in-water microemulsions formed by a zwitteri...
Despite interest in microemulsions as drug delivery vehicles, there is a lack of structural understanding to justify the formulations used. The present study examines the use of... -
High-pressure studies of energetic materials
This proposal seeks to identify and characterise high-pressure polymorphs of the energetic materials hydroxylammonium perchlorate, CL-20, diaminodinitroethene (FOX-7), and... -
How molecular solids prepare for phase transitions: The phase transition in o...
Oxalyl chloride, which is a liquid at RT, forms a disordered phase (I) on cooling to 260 K. This phase is unstable with respect to an ordered phase (II) below 250 K, but in... -
Isolating exchange pathways in novel molecular magnets
Experimentally exploring the fascinating physics of one- and two-dimensional magnetism continues to rely on the synthesis of novel, model systems with highly anisotropic... -
Magnetic order in weakly coupled molecular magnetic systems
Two molecular magnetic systems are considered which show low-temperature ordered states. One of them is F4BImNN, a nitronyl nitroxide radical magnet, an excellent realization of... -
Single-Crystal Neutron Diffraction Study on [U(C5Me5)2(H)(mu¿H)]2
To our knowledge, the length of the U¿H single bond has never been accurately measured, at least not in a molecular compound by single-crystal neutron diffraction. We currently... -
Vibrational Dynamics of Alkali Silicate Glasses - An Isotopic Mass Contrast S...
The present proposal is part of a larger EPSRC project advancing the vibrational spectroscopy of silicate glasses. The project involves the techniques of IR and Raman... -
High-pressure and variable-temperature studies of RDX
Previous studies have suggested that a high-pressure form of the widely used secondary explosive RDX can be obtained above ~4 GPa and 488 K. This phase is reported to be... -
Structural studies of nanoporous carbons and a carbon molecular sieve
This project determines the nanoscale structure of carbide derived carbon, as well as a carbon molecular sieve, by hybrid reverse Monte Carlo simulation. Our simulation will fit... -
High-pressure studies of energetic materials
This proposal seeks to identify and characterise high-pressure polymorphs of the energetic materials hydroxylammonium perchlorate, CL-20, diaminodinitroethene (FOX-7), and... -
Exploration of the microscopic origins of thermal anomalies observed in molec...
It is a well established fact that several molecular liquids experiences a series of thermal anomalies as measured by microscopic and macroscopic techniques. A remarkable case... -
Nano-scale free volume and encapsulation properties of biopolymers: opening i...
Edible biopolymers are routinely used in the encapsulation and controlled release of bioactive ingredients (e.g. medicines, nutrients, flavours). Common encapsulants are in...
