E. Pauwels

Influence of protein environment on the EPR properties of flavoprotein radicals: a QM/MM study

E. Pauwels, T. Verstraelen, B. De Sterck, C.W.M. Kay, V. Van Speybroeck, M. Waroquier
Poster

Conference / event / venue 

Multiscale Molecular Modelling: Molecular Dynamics, Computational Statistical Mechanics, and Simulation Algorithms
Edinburgh, Scotland
Wednesday, 30 June, 2010 to Saturday, 3 July, 2010

Identification of radiation-induced radicals in crystalline sugars: confronting ab-initio calculations with magnetic resonance experiment

E. Pauwels, V. Van Speybroeck, M. Waroquier
Talk

Conference / event / venue 

9th International workshop on Electron Magnetic Resonance of Disordered Systems (EMARDIS)
Sofia, Bulgaria
Wednesday, 8 June, 2005 to Wednesday, 15 June, 2005

Identification of radiation-induced radicals in crystalline sugars: comparing ab-initio calculations with magnetic resonance experiments

E. Pauwels, V. Van Speybroeck, M. Waroquier
Invited talk
Invited stay in the group of Prof. G. Grampp, ESR and Photochemistry group, Technische Universität Graz, Austria
Tuesday, 13 December, 2005 to Wednesday, 14 December, 2005

Tentative Models for Radiation-Induced Defects in Sucrose Single Crystals at Room Temperature: a Combined EMR and DFT study

H. De Cooman, A. Dimitrova, E. Pauwels, H. Vrielinck, E. Sagstuen, N.D. Yordanov, M. Waroquier, F. Callens
Talk

Conference / event / venue 

10th International Workshop on Electron Magnetic Resonance Of Disordered Systems
Sofia, Bulgaria
Thursday, 7 June, 2007 to Thursday, 14 June, 2007

Radicals in Sucrose Single Crystals Induced by X-rays at Different Temperatures: a Combined EPR and DFT Study (1st prize Young Investigator Award, ERR 2008)

H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens
Talk

Conference / event / venue 

ERR 2008 congres (The 36th annual meeting of the European Radiation Research)
Tours, France
Monday, 1 September, 2008 to Thursday, 4 September, 2008

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