Academic Bibliography

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Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study

Nuriya Sakhabutdinova (UGent) , Andy Van Yperen-De Deyne (UGent) , Ewald Pauwels (UGent) , Veronique Van Speybroeck (UGent) , Henk Vrielinck (UGent) , Freddy Callens (UGent) and Michel Waroquier (UGent)

(2011) JOURNAL OF PHYSICAL CHEMISTRY A. 115(9). p.1721-1733
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Electron magnetic resonance and density functional theory study of room temperature X-irradiated β-D-fructose single crystals

Mihaela Adeluta Tarpan (UGent) , Ewald Pauwels (UGent) , Henk Vrielinck (UGent) , Michel Waroquier and Freddy Callens (UGent)

(2010) JOURNAL OF PHYSICAL CHEMISTRY A. 114(47). p.12417-12426
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Oxidation and reduction products of X irradiation at 10 K in sucrose single crystals: radical identification by EPR, ENDOR, and DFT

Hendrik De Cooman, Ewald Pauwels (UGent) , Henk Vrielinck (UGent) , Einar Sagstuen, Michel Waroquier (UGent) and Freddy Callens (UGent)

(2010) JOURNAL OF PHYSICAL CHEMISTRY B. 114(1). p.666-674
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- conference
- C3
- open access
Direct-effect radiation chemistry of solid-state carbohydrates using EMR and DFT

Hendrik De Cooman, Mihaela Adeluta Tarpan (UGent) , Ewald Pauwels (UGent) , Henk Vrielinck (UGent) , E Sagstuen, Michel Waroquier (UGent) and Freddy Callens (UGent)

(2010) Radiation Damage to DNA, 11th International workshop, Abstracts.
Mark
- conference
- C3
- open access
Which role do excited states play in radiation damage to organic solid-state compounds?

Hendrik De Cooman, Siv G. Aalbergsjø, Ewald Pauwels (UGent) , E. Sagstuen, E.O. Hole, Freddy Callens (UGent) and Michel Waroquier (UGent)

(2010)
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- journalArticle
- A1
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
- conference
- C3
- open access
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
- conference
- C3
- open access
DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices

Nuriya Sakhabutdinova (UGent) , Ewald Pauwels (UGent) , Henk Vrielinck (UGent) , Freddy Callens (UGent) and Michel Waroquier (UGent)

(2009) Abstracts EFEPR2009.
Mark
- conference
- C3
- open access
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
- conference
- C3
- open access
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).

Academic Bibliography

Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study

Electron magnetic resonance and density functional theory study of room temperature X-irradiated β-D-fructose single crystals

Oxidation and reduction products of X irradiation at 10 K in sucrose single crystals: radical identification by EPR, ENDOR, and DFT

Direct-effect radiation chemistry of solid-state carbohydrates using EMR and DFT

Which role do excited states play in radiation damage to organic solid-state compounds?

ENDOR and HYSCORE Analysis and DFT-Assisted Identification of the Third Major Stable Radical in Sucrose Single Crystals X-Irradiated at Room Temperature

Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals

DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices

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

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

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