E. Pauwels

Identifying radiation-induced radicals and their formation mechanisms in sugars and sugar derivatives using DFT methods

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

Talk

Conference / event / venue

Symposium DFT in Chile and Flanders

VUB, Brussels

Friday, 28 November, 2008

Elucidation of radiation-induced processes using DFT calculations

E. Pauwels, E. Sagstuen, E.O. Hole, M. Waroquier

Talk

Conference / event / venue

11th International Workshop on Electron Magnetic Resonance Of Disordered Systems (EMARDIS)

Sofia-Boyana, Bulgaria

Thursday, 11 June, 2009 to Wednesday, 17 June, 2009

Radiation-induced radical formation in solid state sugars: a review of recent EMR and DFT results (Invited talk)

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

Talk

Conference / event / venue

11th International Workshop on Electron Magnetic Resonance Of Disordered Systems (EMARDIS)

Sofia-Boyana, Bulgaria

Thursday, 11 June, 2009 to Thursday, 18 June, 2009

DFT calculations of EPR properties: modelling the effect of environment and temperature

E. Pauwels

Talk

Conference / event / venue

7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15

Antwerp, Belgium

Sunday, 6 September, 2009 to Friday, 11 September, 2009

Thermally activated reactions of radiation-induced radicals in sugar single crystals: an electron magnetic resonance and DFT study

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

Talk

Conference / event / venue

7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15

Antwerp, Belgium

Sunday, 6 September, 2009 to Friday, 11 September, 2009

Elucidation of radiation-induced processes using DFT calculations

E. Pauwels, E. Sagstuen, E.O. Hole, M. Waroquier

Talk

Conference / event / venue

RRS: 55th Annual Meeting of the Radiation Research Society

Savannah, Georgia, United States

Saturday, 3 October, 2009 to Wednesday, 7 October, 2009

Direct-Effect Radiation Chemistry of Solid-State Carbohydrates Using EMR and DFT (invited talk)

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

Talk

Conference / event / venue

The 11th International Workshop on Radiation Damage to DNA

Atlanta, Georgia, USA

Saturday, 15 May, 2010 to Wednesday, 19 May, 2010

DFT and TDDFT studies of deprotonation from oxygen in rhamnose cations

S.G. Aalbergsjø, H. De Cooman, E. Sagstuen, E. Pauwels

Talk

Conference / event / venue

Quantum Chemistry beyond the Arctic Circle

Sommarøy-Tromsø, Norway

Wednesday, 23 June, 2010 to Saturday, 26 June, 2010

Calculating EPR properties: accounting for molecular environment and temperature in DFT

E. Pauwels

Invited talk

Conference / event / venue

Invited stay at Theoretical and Computational Chemistry Group of Prof. Dr. Martin Kaupp

Technische Universitat Berlin, Germany

Monday, 6 December, 2010 to Wednesday, 8 December, 2010

Peptide Deamidation: Effect of Neighboring Residues

S. Catak, J. Felix, S.N. Savvides, V. Van Speybroeck, M. Waroquier, E. Pauwels

p. 53

Poster

Conference / event / venue

Conference on Molecular Simulations in Biosystems and Material Science (SimBioMa)

Konstanz, Germany

Wednesday, 28 September, 2011 to Saturday, 1 October, 2011

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