Ghent University Academic Bibliography

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2009
- A1
- journalArticle
ENDOR and HYSCORE Analysis and DFT-Assisted Identification of the Third Major Stable Radical in Sucrose Single Crystals X-Irradiated at Room Temperature
Hendrik De Cooman, Ewald Pauwels UGent, Henk Vrielinck UGent, Einar Sagstuen, Sabine Van Doorslaer, Freddy Callens UGent and Michel Waroquier UGent (2009) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 11(7). p.1105-1114 Mark
- C3
- conference
Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals
Mihaela Adeluta Tarpan UGent, Hendrik De Cooman, Ewald Pauwels UGent, Michel Waroquier UGent, E. Sagstuen and Freddy Callens UGent (2009) Abstracts European conference on the spectroscopy of biological molecules. Mark
- C3
- conference
Elucidation of radiation-induced processes using DFT calculations
Ewald Pauwels UGent, E Sagstuen, EO Hole and Michel Waroquier UGent (2009) Electron Magnetic Resonance of Disordered Systems, 11th International workshop on, Abstracts. Mark
- A1
- journalArticle
Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules
An Ghysels UGent, Veronique Van Speybroeck UGent, Ewald Pauwels UGent, Dimitri Van Neck UGent, Bernard R. Brooks and Michel Waroquier UGent (2009) Journal of Chemical Theory and Computation. 5(5). p.1203-1215 Mark
- C3
- conference
QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins
Saron Catak UGent, Bart De Sterck UGent, Ewald Pauwels UGent, Gerald Monard, Manuel F. Ruiz-Lopez, Viktorya Aviyente, Michel Waroquier UGent and Veronique Van Speybroeck UGent (2009) Abstracts 13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. Mark
- C3
- conference
DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices
Nuriya Sakhabutdinova, Ewald Pauwels UGent, Henk Vrielinck UGent, Freddy Callens UGent and Michel Waroquier UGent (2009) Abstracts EFEPR2009. Mark
- C3
- conference
Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters
Hendrik De Cooman, Ewald Pauwels UGent, Henk Vrielinck UGent, E. Sagstuen, Freddy Callens UGent and Michel Waroquier UGent (2009) Abstracts 13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. Mark
- C3
- conference
Thermally activated reactions of radiation-induced radicals in sugar single crystals: an electron magnetic resonance and DFT study
Hendrik De Cooman, Henk Vrielinck UGent, Ewald Pauwels UGent, E. Sagstuen, Michel Waroquier UGent and Freddy Callens UGent (2009) Abstracts 7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15. Mark
- C3
- conference
Radiation-induced radical formation in solid state sugars: a review of recent EMR and DFT results
Hendrik De Cooman, Ewald Pauwels UGent, Henk Vrielinck UGent, E. Sagstuen, Michel Waroquier UGent and Freddy Callens UGent (2009) Abstracts 11th International Workshop on Electron Magnetic Resonance Of Disordered Systems (EMARDIS). Mark
2008
- A1
- journalArticle
Effect of temperature on the EPR properties of a rhamnose alkoxy radical: A DFT molecular dynamics study
Ewald Pauwels UGent, Toon Verstraelen UGent and Michel Waroquier UGent (2008) SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 69(5). p.1388-1394 Mark

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