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Posters presented at the
Second Annual Meeting of the St. Andrews
Centre of Magnetic Resonance
Thursday 7 June 2012, School of Chemistry, St Andrews, 5 pm
A Solid-State NMR and High-Resolution Diffraction Investigation of Niobate Perovskites
Martin D. Peel, Philip Lightfoot, Sharon E. Ashbrook
Investigating the 31P CSA of Aluminophosphates by First-Principles Calculations and 2D CSA-Amplified PASS
Scott Sneddon, Daniel M. Dawson, Martin R. Mitchell, Sharon E. Ashbrook
Improved background suppression in 1H MAS NMR using composite pulses
Smita Odedra, Stephen Wimperis
EPR Spectroscopic Study of Radicals Generated from Photolyses of Oxime Carbonates
Roy T. McBurney, Andrew Harper, John C. Walton
Hydration-Induced Phase Transitions in the Aluminophosphate AlPO-53
Daniel M. Dawson, Richard I. Walton, Stephen Wimperis, Sharon E. Ashbrook
Reorientational dynamics in the closo-carboranes using molecular dynamics and 11B MAS NMR
Hernan Ahumada, Teresa Kurkiewicz, Michael J. Thrippleton, Stephen Wimperis
Structural changes to histone H3 amino terminal alpha-helix upon K56 acetylation,
Linas Urnavicius, Colin Hammond, Tom Owen-Hughes, David G Norman
Sensitive surface loop-gap micro-resonators for electron spin resonance,
Ekaterina Dikarov, Ygal Twig, Aharon Blank
Investigating Disorder in Ceramic Wasteforms through MAS NMR and First-Principles Calculations
Martin R. Mitchell, Simon W. Reader, Diego Carnevale, Sharon E. Ashbrook
Hunting for Hydrogen in Wadsleyite: Multinuclear Solid-State NMR and First-Principles Calculations
Sharon E. Ashbrook, John M. Griffin, Andrew J. Berry, Stephen Wimperis
Solid-State NMR Investigation into Local Structure and Order in the Aluminophosphate STA-2
Valerie R. Seymour, Maria Castro, Paul A. Wright, John M. Griffin, Sharon E. Ashbrook
Modelling Molecular Crystals by QM/MM: Local Geometry Optimization and Transition Metal NMR Properties
Ragnar Bjornsson, Michael Bühl
Probing Isotope Shifts in 195Pt NMR Spectra with DFT
John C. Davis, Klaus R. Koch, Michael Bühl
Solid-State 13C NMR Investigation of Paramagnetic Metal-Organic Frameworks
Lauren Jamieson, Daniel Dawson, Sharon E. Ashbrook, Romain Cadou, Iain Smellie, Russell E. Morris
Electron paramagnetic resonance of Fe3+ centres in SrTiO3
Ijaz Ahmad, David J. Keeble
Weak Te,Te Bonding Through the Looking Glass of NMR Spin-Spin Coupling
Michael Bühl, Fergus R. Knight, Anezka Kristkova, O. L. Malkina, J. Derek Woollins
EPR investigation of a novel Copper Metal Organic Framework (STAM-1)
Hassane EL Mkami, C. Pal, M.I.H. Mohideen, S. Van Doorslaer, Russell E. Morris, Olav Schiemann
Determining relative orientations of nitroxide spin labels at high field EPR
Johannes E. McKay, Hassane El Mkami, Graham M. Smith
Solution structure of MscS determined by PELDOR spectroscopy
Richard J. Ward, Christos Pliotas, Emma Branigan, Gregor Hagelueken, Akiko Rasmussen, Ian R. Booth, James Naismith and Olav Schiemann
Prospects for high quality PELDOR at sub-100nm concentratio
D.R.Bolton, R.I.Hunter, P.A.S. Cruickshank, H El Mkami, C. Motion, Graham M. Smith
Use of composite pulses in EPR measurements at 94 GHz
C. Motion, P.A.S.Cruickshank, D.R.Bolton, R.I.Hunter, H El Mkami, Graham M. Smith
University of St Andrews/
Schools of Biology/
Physics/
Chemistry/
Centre for Biomolecular Science
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