Senior Research Associate (X-Ray Crystallography)
Chemical Crystallography
Crystallographic methods provide detailed atomic-level descriptions of crystalline solids, including molecular structure and geometrical information on intermolecular interactions.
Single-crystal and powder X-ray diffraction are core analytical techniques within the chemical sciences, which support and augment a broad range of research within the Department. Modern diffraction instruments, applied at both laboratory and synchrotron sources, enable complex chemical problems to be tackled using crystallographic methods: for example, characterizing and understanding the consequences of disorder in molecular crystals or monitoring chemical changes in single crystals or crystalline powders.
Publications
Crystallization and disorder of the polytypic α1 and α2 polymorphs of piroxicam
– CrystEngComm
(2015)
17,
5266
(doi: 10.1039/c5ce00050e)
Studying Microstructure in Molecular Crystals With Nanoindentation: Intergrowth Polymorphism in Felodipine
– Angewandte Chemie
(2014)
126,
13318
(doi: 10.1002/ange.201406898)
Studying microstructure in molecular crystals with nanoindentation: Intergrowth polymorphism in felodipine
– Angew Chem Int Ed Engl
(2014)
53,
13102
(doi: 10.1002/anie.201406898)
processPIXEL: a program to generate energy-vector models from Gavezzotti's PIXEL calculations
– Journal of Applied Crystallography
(2014)
47,
1777
(doi: 10.1107/s1600576714016446)
Structural basis for the transformation pathways of the sodium naproxen anhydrate-hydrate system
– IUCrJ
(2014)
1,
328
(doi: 10.1107/S2052252514015450)
Crystal structure prediction of indomethacin
– Acta Crystallographica Section A Foundations and Advances
(2014)
70,
C1540
(doi: 10.1107/s2053273314084599)
Interpreting Disordered PXRD Structures using Molecular Dynamics
– Acta Crystallographica Section A: Foundations and advances
(2014)
70,
c1569
(doi: 10.1107/s2053273314084307)
Parametric Rietveld refinement applied to dehydration of sodium naproxen
– Acta Crystallographica Section A: Foundations and advances
(2014)
70,
C503
(doi: 10.1107/s2053273314094960)
In situ monitoring of hydration and dehydration in pharmaceutical solids
– Acta Crystallographica Section A Foundations and Advances
(2014)
70,
C906
(doi: 10.1107/s2053273314090937)
Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and 13C solid-state NMR
– Acta Crystallographica Section C Structural Chemistry
(2014)
70,
784
(doi: 10.1107/s2053229614015356)
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