A5085562872- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- X-ray Diffraction in Crystallography
- Asymmetric Hydrogenation and Catalysis
- Organometallic Complex Synthesis and Catalysis
- Crystal structures of chemical compounds
- Sulfur-Based Synthesis Techniques
- Analytical Chemistry and Chromatography
- Chemical Synthesis and Reactions
- Calcium Carbonate Crystallization and Inhibition
- Advanced X-ray Imaging Techniques
- Polyoxometalates: Synthesis and Applications
- Inorganic Chemistry and Materials
- Asymmetric Synthesis and Catalysis
- Radical Photochemical Reactions
- nanoparticles nucleation surface interactions
- Computational Drug Discovery Methods
- Spectroscopy and Quantum Chemical Studies
- Enzyme Structure and Function
- Fluorine in Organic Chemistry
- Solid-state spectroscopy and crystallography
- Metal complexes synthesis and properties
- Lanthanide and Transition Metal Complexes
- Chemical Synthesis and Analysis
- Molecular spectroscopy and chirality
University of Cambridge
2002
Daresbury Laboratory
1998
San Diego Supercomputer Center
1997
ACAL Energy (United Kingdom)
1993-1994
University of Liverpool
1988-1992
The previously unknown crystal structure of the local anaesthetic tetracaine hydrochloride (C15H25N2O2+Cl−) has been solved from synchrotron X-ray powder diffraction data using a direct-space global optimisation method in which position and conformation structural model is adjusted. C15H25N2O2+ moiety chloride counterion were treated as independent units during solution process. This complex despite nine torsional degrees freedom cation. A restrained Rietveld refinement initial gives an...
Optical microscopy, crystal growth kinetics and induction time measurements have been utilised to characterise the influence of n-alkanoic acids on crystallisation adipic acid from aqueous solution. The kinetic morphological data are consistent with a structural model in which added occupy lattice sites at surfaces. This is confirmed by observed incorporations these molecules detectable levels harvested crystals.
G. D. Potts, W. Jones, J. F. Bullock, S. Andrews and Maginn, Chem. Soc., Commun., 1994, 2565 DOI: 10.1039/C39940002565
The phase characterisation and morphologies of forms I II terephthalic acid are presented. structural nature the → polymorphic transition has been explored form shown to be more stable at room temperature pressure. A new mechanism is proposed for apparent stability multiply twinned samples I.
The influence of impurities on the morphology ε-caprolactam crystals was examined in terms molecular recognition processes at crystal/solution interface. Summing intermolecular interactions, using atom−atom approximation together with DREIDING force field provided a convergence lattice energy summation good correlation to thermodynamic data. Attachment calculations HABIT95 program predicted growth dominated by {200}, {110}, and {111̄} crystal forms agreement known experimental vapor...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTGrowth of m-Chloronitrobenzene Crystals in the Presence Tailor-Made Additives: Assignment Polar Axes from Morphological CalculationsB. D. Chen, J. Garside, R. Davey, S. Maginn, and M. MatsuokaCite this: Phys. Chem. 1994, 98, 12, 3215–3221Publication Date (Print):March 1, 1994Publication History Published online1 May 2002Published inissue 1 March 1994https://pubs.acs.org/doi/10.1021/j100063a027https://doi.org/10.1021/j100063a027research-articleACS...
Laue diffraction patterns for a small single crystal of the organometallic compound [FeRhCl(CO)sdppee] [dppee is PhEPCH(=CHE)PPh2] were recorded with SRS wiggler beam at SERC Daresbury Laboratory. The intensities measured from these photographs and structure determined by Patterson Fourier methods. had previously given weak Cu Ka Weissenberg which unit-cell dimensions space group determined. data did not extend to plane spacings much less than 1.2,~ crystals found be disordered; refinement...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNucleation of Crystals under Langmuir Monolayers: Kinetic and Morphological Data for the Nucleation IceR. J. Davey, S. Maginn, R. B. Steventon, M. Ellery, A. V. Murrell, Booth, D. Godwin, E. RoutCite this: 1994, 10, 6, 1673–1675Publication Date (Print):June 1, 1994Publication History Published online1 May 2002Published inissue 1 June 1994https://pubs.acs.org/doi/10.1021/la00018a012https://doi.org/10.1021/la00018a012research-articleACS...
There have been many previous studies of the IV-III phase transition in ammonium nitrate and water is known to play a mechanistic role. This work examines effect other solvents additives on kinetics single crystals combines these data with structural information examine overall mechanism transition. All are consistent novel form solvent mediation which interface between phases microscopic layer solution.
Abstract The phase characterisation and morphologies of forms I II terephthalic acid are presented. structural nature the ↔ polymorphic transition has been explored form shown to be more stable at room temperature pressure. A new mechanism is proposed for apparent stability multiply twinned slamples I.
Transformation de phase insuline 4Zn (a=80,7A c=36,1A, groupe d'espace R3) a l'insuline 2Zn (a=82,5A c=34A
Laue diffraction patterns, using the full white beam from a synchrotron source, can be recorded on film with exposure times of 1s or less; comparatively small number photographs taken crystal in different orientations record large proportion unique reflections, allowing structure to determined fully set films within period 1–10 minutes.
R. Parsons, K. M. Robinson, T. A. Twomey, L. Leiserowitz, J. Roberts, Chernov, P. van der Eerden, Bennema, W. Frenken, N. Sherwood, G. Goldbeck-Wood, B. Yu. Shekunov, Lal, S. C. Parker, Davey, F. Gao, Leusen, Mohammadi, V. Mehta, I. D. Alexander, Woensdregt, Rohl, Higgs, Ungar, Toda, Keller, Maginn and Hastie, Faraday Discuss., 1993, 95, 145 DOI: 10.1039/FD9939500145
The crystal structure of 4,4'-difluorobenzophenone, C 13 H 8 F 2 O, has been determined and found to be isostructural with the dichloro analogue, though not diiodo analogue
Abstract The phenomenon of solvent-induced habit modification materials is well documented. In much the same way as additives or impurities within a system can cause morphological differences, change in growth solvent also result dramatic crystal alterations. This research details method qualitatively predicting solvent-modified morphologies ϵ-caprolactam, based on molecular dynamics and minimisation studies molecules surfaces. Binding energies are produced which then related to original...