Ab initio investigation of chalcogen doped alkali halides F. Stevens, H. Vrielinck, V. Van Speybroeck, E. Pauwels, F. Callens, M. Waroquier PosterConference / event / venue DFT2005Geneva, SwitzerlandSunday, 11 September, 2005 to Thursday, 15 September, 2005 Read more about Ab initio investigation of chalcogen doped alkali halides
ENDOR Analysis of Fe3+ Impurity Centres in Fluoroelpasolite Lattices F. Loncke, H. Vrielinck, H. De Cooman, N.M. Khaidukov, F. Callens PosterConference / event / venue 39th Annual International Meeting of the ESR Group of the Royal Society of Chemistry: Advanced Techniques and Applications of EPREdinburgh, SchotlandSunday, 2 April, 2006 to Wednesday, 5 April, 2006 Read more about ENDOR Analysis of Fe3+ Impurity Centres in Fluoroelpasolite Lattices
Electron Magnetic Resonance Study of Stable Radicals in X-Irradiated Beta-D-Fructose Single Crystals M.A. Tarpan, H. De Cooman, H. Vrielinck, E. Pauwels, F. Callens, M. Waroquier PosterConference / event / venue Electron Magnetic Resonance Study of Stable Radicals in X-Irradiated Beta-D-Fructose Single CrystalsOxford, UKSunday, 25 March, 2007 to Thursday, 29 March, 2007 Read more about Electron Magnetic Resonance Study of Stable Radicals in X-Irradiated Beta-D-Fructose Single Crystals
How do X-rays damage sugars on the molecular level ? A model study for radiation damage to the DNA sugar units H. De Cooman, E. Pauwels, H. Vrielinck, M. Waroquier, F. Callens PosterConference / event / venue Doctoral SymposiumGhent Univeristy, Faculty of Engineering, Ghent, BelgiumTuesday, 24 April, 2007 Read more about How do X-rays damage sugars on the molecular level ? A model study for radiation damage to the DNA sugar units
Schonland ambiguity in the determination of A tensors from angular dependence of ENDOR spectra: application to the stable T1 radical in sucrose single crystals H. De Cooman, H. Vrielinck, E. Pauwels, M. Waroquier, S. Van Doorslaer, F. Callens PosterConference / event / venue Benelux EPR 2008Leuven (Heverlee), BelgiumFriday, 16 May, 2008 Read more about Schonland ambiguity in the determination of A tensors from angular dependence of ENDOR spectra: application to the stable T1 radical in sucrose single crystals
Combined Electron Magnetic Resonance and Density Functional Theory Study of intermediate radicals in X-irradiated beta-D-Fructose single crystals M.A. Tarpan, H. Vrielinck, E. Pauwels, M. Waroquier, F. Callens PosterConference / event / venue Euromar 2008, Magnetic Resonance ConferenceSt.Petersburg, RussiaSunday, 6 July, 2008 to Friday, 11 July, 2008 Read more about Combined Electron Magnetic Resonance and Density Functional Theory Study of intermediate radicals in X-irradiated beta-D-Fructose single crystals
Radicals induced in sucrose single crystals by X-irradiation: unravelling radical formation mechanisms using EMR experiments and DFT calculations H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens PosterConference / event / venue Radiation Chemistry ConferenceWaterville Valley, NH, USSunday, 6 July, 2008 to Friday, 11 July, 2008 Read more about Radicals induced in sucrose single crystals by X-irradiation: unravelling radical formation mechanisms using EMR experiments and DFT calculations
Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals M.A. Tarpan, H. De Cooman, H. Vrielinck, E. Pauwels, M. Waroquier, E. Sagstuen, F. Callens PosterConference / event / venue European conference on the spectroscopy of biological moleculesPalermo, ItalyFriday, 28 August, 2009 to Wednesday, 2 September, 2009 Read more about Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals
Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, F. Callens, M. Waroquier PosterConference / event / venue 13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09)Lyon, FranceMonday, 31 August, 2009 to Friday, 4 September, 2009 Read more about Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters
DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices N. Sakhabutdinova, E. Pauwels, H. Vrielinck, F. Callens, M. Waroquier PosterConference / event / venue 7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15Antwerp, BelgiumSunday, 6 September, 2009 to Friday, 11 September, 2009 Read more about DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices