Hendrik De Cooman

Publications

A1 publications

Published

2014

[A1 Publication] Solved? The reductive radiation chemistry of alanine

Authors

Pauwels E.; De Cooman H.; Waroquier M.; Hole E.; Sagstuen E.

Physical Chemistry Chemical Physics 2014. 16(6): 2475-2482.

http://dx.doi.org/10.1039/c3cp54441a

2013

[A1 Publication] Dominant stable radicals in irradiated sucrose: g tensors and contribution to the powder electron paramagnetic resonance spectrum

Authors

De Cooman H.; Keysabyl J.; Kusakovskij J.; Van Yperen-De Deyne A.; Waroquier M.; Callens F.; Vrielinck H.

Journal of Physical Chemistry B 2013. 117(24): 7169 - 7178.

http://dx.doi.org/10.1021/jp400053h

[A1 Publication] Room Temperature Radiation Products in Trehalose Single Crystals: EMR and DFT analysis

Authors

De Cooman H.; Tarpan M.; Vrielinck H.; Waroquier M.; Callens F.

Radiation Research 2013. 179(3): 313-322.

http://dx.doi.org/10.1667/RR3179.1

[A1 Publication] Structural specificity of alkoxy radical formation in crystalline carbohydrates

Authors

Aalbergsjø S. G.; Pauwels E.; De Cooman H.; Hole E. O.; Sagstuen E.

Physical Chemistry Chemical Physics 2013. 15(24): 9615-9619.

http://dx.doi.org/10.1039/c3cp50789k

2012

[A1 Publication] Radiation Products at 77 K in Trehalose Single Crystals: EMR and DFT Analysis

Authors

Tarpan M.; De Cooman H.; Hole E.; Waroquier M.; Callens F.

Journal of Physical Chemistry A 2012. 116(13): 3377-3387.

http://dx.doi.org/10.1021/jp300979g

2011

[A1 Publication] Identification of primary free radicals in trehalose dihydrate single crystals X-irradiated at 10 K

Authors

Tarpan M. A.; De Cooman H.; Sagstuen E.; Waroquier M.; Callens F.

Physical Chemistry Chemical Physics 2011.

http://dx.doi.org/10.1039/C0CP02616F

2010

[A1 Publication] On the identity of the radiation-induced stable alanine radical

Authors

Pauwels E.; De Cooman H.; Waroquier M.; Hole E. O.; Sagstuen E.

Physical Chemistry Chemical Physics 2010.

http://dx.doi.org/10.1039/C004380J

[A1 Publication] Oxidation and Reduction Products of X Irradiation at 10 K in Sucrose Single Crystals: Radical Identification by EPR, ENDOR, and DFT

Authors

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

Journal of Physical Chemistry B 2010. 114(1): 666 - 674.

http://dx.doi.org/10.1021/jp909247z

[A1 Publication] Dosimetric characteristics of different types of saccharides: An EPR and UV spectrometric study

Authors

Karakirova Y.; Yordanov N. D.; De Cooman H.; Vrielinck H.; Callens F.

Radiation Physics and Chemistry 2010. 79(5): 654-659.

http://dx.doi.org/10.1016/j.radphyschem.2009.12.003

2009

[A1 Publication] ENDOR and HYSCORE analysis and DFT-assisted identification of the third major stable radical in sucrose single crystals X-irradiated at room temperature

Authors

De Cooman H.; Pauwels E.; Vrielinck H.; Sagstuen E.; Van Doorslaer S.; Callens F.; Waroquier M.

Physical Chemistry Chemical Physics 2009. 11(7): 1105-1114.

http://dx.doi.org/10.1039/B816641B

[A1 Publication] Determination of the g Tensors for the Dominant Stable Radicals in X-Irradiated β-d-Fructose Single Crystals

Authors

Tarpan M. A.; Vrielinck H.; De Cooman H.; Callens F.

Journal of Physical Chemistry A 2009. 113(28): 7994-8000.

http://dx.doi.org/10.1021/jp9017019

[A1 Publication] Early-Stage Evolution of the EPR Spectrum of Crystalline Sucrose at Room Temperature after High-Dose X Irradiation

Authors

Vrielinck H.; De Cooman H.; Karakirova Y.; Yordanov N. D.; Callens F.

Radiation Research 2009. 172(2): 226-233.

http://dx.doi.org/10.1667/RR1746.1

2008

[A1 Publication] Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms

Authors

Pauwels E.; De Cooman H.; Vanhaelewyn G.; Sagstuen E.; Callens F.; Waroquier M.

Journal of Physical Chemistry B 2008. 112(47): 15054-15063.

http://dx.doi.org/10.1021/jp804287c

[A1 Publication] Radiation-Induced Radicals in Glucose-1-phosphate. I. Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Analysis of in situ X-Irradiated Single Crystals at 77 K

Authors

De Cooman H.; Vanhaelewyn G.; Pauwels E.; Sagstuen E.; Waroquier M.

Journal of Physical Chemistry B 2008. 112(47): 15045-15053.

http://dx.doi.org/10.1021/jp804290e

[A1 Publication] Schonland ambiguity in the electron nuclear double resonance analysis of hyperfine interactions: Principles and practice

Authors

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

Journal of Magnetic Resonance 2008. 195(2): 196-205.

[A1 Publication] Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: vibrational analysis and comparison with EPR experiments

Authors

Pauwels E.; Verstraelen T.; De Cooman H.; Van Speybroeck V.; Waroquier M.

Journal of Physical Chemistry B 2008. 112(25): 7618 - 7630.

http://dx.doi.org/10.1021/jp711997y

[A1 Publication] Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters

Authors

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

Journal of Physical Chemistry A 2008. 112(24): 7298-7307.

http://dx.doi.org/10.1021/jp712004g

[A1 Publication] Radiation-induced defects in sucrose single crystals, revisited: A combined electron magnetic resonance and density functional theory study

Authors

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

Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy 2008. 69(5): 1372-1383.

http://dx.doi.org/10.1016/j.saa.2007.09.033

2007

[A1 Publication] EPR and ENDOR analysis of Fe3+ impurity centers in fluoroelpasolite lattices

Authors

Loncke F.; De Cooman H.; Khaidukov N. M.; Vrielinck H.; Goovaerts E.; Matthys P.; Callens F.

Physical Chemistry Chemical Physics 2007. 9(39): 5320-5329.

http://dx.doi.org/10.1039/B704406B

Other publications

Dissertations [MSc and PhD]

PhD thesis

2009

[PhD Thesis] A combined EMR and DFT study of radiation-induced effects in surcose and glucose 1-phosphate

Authors

De Cooman H.

Supervisor(s):

prof. dr.

Callens F.

prof. dr. Michel Waroquier

Doctor of Science: Physics, 27/05/2009.

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2010

[Invited talk] Direct-Effect Radiation Chemistry of Solid-State Carbohydrates Using EMR and DFT

Authors

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

The 11th International Workshop on Radiation Damage to DNA, Atlanta, US, 15/05/2010 - 19/05/2010

2009

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

Authors

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

11th International Workshop on Electron Magnetic Resonance Of Disordered Systems (EMARDIS), Sofia-Boyana, BG, 11/06/2009 - 18/06/2009

Talks

2010

[Talk] DFT and TDDFT studies of deprotonation from oxygen in rhamnose cations

Authors

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

Quantum Chemistry beyond the Arctic Circle, Sommarøy-Tromsø, NO, 23/06/2010 - 26/06/2010

[Talk] Electron magnetic resonance study of primary free radicals in trehalose single crystals

Authors

Tarpan M. A.; De Cooman H.; Sagstuen E.; Callens F.

18th Meeting of the Benelux EPR Society, Brussels, BE, 01/06/2010

2009

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

Authors

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

7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15, Antwerp, BE, 06/09/2009 - 11/09/2009

[Talk] ENDOR in field-frequency space: orientation, species and quantum state selection

Authors

Vrielinck H.; Loncke F.; Tarpan M. A.; De Cooman H.; Zverev D.; Callens F.

42nd Annual Meeting of the Electron Spin Resonance group of the Royal Society of Chemistry, Norwich, GB, 19/04/2009 - 23/04/2009

[Talk] 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)

Authors

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

ERR 2008 congres (The 36th annual meeting of the European Radiation Research), Tours, FR, 01/09/2008 - 04/09/2008

2008

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

Authors

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

Symposium DFT in Chile and Flanders, Brussels, BE, 28/11/2008

[Talk] Field-frequency ENDOR spectroscopy of paramagnetic defects in insulating materials

Authors

Vrielinck H.; Loncke F.; De Cooman H.; Tarpan M. A.; Zverev D.; Matthys P.; Callens F.

16th International Conference on Defects in Insulating Materials (ICDIM) 2008, Aracaju, BR, 24/08/2008 - 29/08/2008

2007

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

Authors

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

10th International Workshop on Electron Magnetic Resonance Of Disordered Systems, Sofia, BG, 07/06/2007 - 14/06/2007

2005

[Talk] Probing interactions between rare-earth ions in a Cs2NaY1-xErxF6 concentration series, a model system for wide-bandgap solids

Authors

Vrielinck H.; Izeddin I.; Gregorkiewicz T.; De Cooman H.; Loncke F.; Callens F.; Lauwaert J.; Clauws P.

E-MRS 2005 Spring Meeting, Strasbourg, FR, 31/05/2005 - 03/06/2005

Posters

2010

[Poster] Direct-Effect Radiation Chemistry of Solid-State Carbohydrates Using EMR and DFT

Authors

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

The 11th International Workshop on Radiation Damage to DNA, Atlanta, US, 15/05/2010 - 19/05/2010

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

Authors

De Cooman H.; Aalbergsjø S. G.; Pauwels E.; Sagstuen E.; Hole E. O.; Callens F.; Waroquier M.

Quantum Chemistry in Belgium 9th edition (QCB9), Louvain-la-Neuve, BE, 26/01/2010

2009

[Poster] Electron Magnetic Resonance study of the Structure and Thermal Stability of Radiation-Induced Free Radicals in Trehalose Single Crystals

Authors

Tarpan M. A.; Scheir G.; De Cooman H.; Vrielinck H.; Callens F.

7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15, Antwerp, BE, 06/09/2009 - 11/09/2009

[Poster] Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters

Authors

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

13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT2009), Lyon, FR, 31/08/2009 - 04/09/2009

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

Authors

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

The European Conference on the Spectroscopy of Biological Molecules (ECSBM XIII) (2009), Palermo, IT, 28/08/2009 - 02/09/2009

2008

[Poster] Radicals induced in sucrose single crystals by X-irradiation: unravelling radical formation mechanisms using EMR experiments and DFT calculations

Authors

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

RADIATION CHEMISTRY CONFERENCE 2008, Waterville Valley, US, 06/07/2008 - 11/07/2008

[Poster] Schonland ambiguity in the determination of A tensors from angular dependence of ENDOR spectra: application to the stable T1 radical in sucrose single crystals

Authors

De Cooman H.; Vrielinck H.; Pauwels E.; Waroquier M.; Van Doorslaer S.; Callens F.

16th Meeting of the Benelux EPR 2008, Leuven, BE, 16/05/2008

[Poster] Temperature study of a glycine radical in the solid state adopting a DFT periodic approach

Authors

Pauwels E.; Verstraelen T.; De Cooman H.; Van Speybroeck V.; Waroquier M.

QCB8, Hasselt, BE, 08/02/2008

2007

[Poster] How do X-rays damage sugars on the molecular level ? A model study for radiation damage to the DNA sugar units

Authors

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

FirW PhD symposium 2007, Ghent, BE, 05/12/2007

[Poster] Electron Magnetic Resonance Study of Stable Radicals in X-Irradiated Beta-D-Fructose Single Crystals

Authors

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

ESR-2007, Oxford, GB, 25/03/2007 - 29/03/2007

2006

[Poster] ENDOR Analysis of Fe3+ Impurity Centres in Fluoroelpasolite Lattices

Authors

Loncke F.; Vrielinck H.; De Cooman H.; Khaidukov N. M.; Callens F.

39th Annual International Meeting of the ESR Group of the Royal Society of Chemistry: Advanced Techniques and Applications of EPR, Edinburgh, GB, 02/04/2006 - 05/04/2006

2005

[Poster] Spectroscopic Study of Interactions Between Rare Earth Ions in Er-Doped Cs2NaYF6

Authors

Vrielinck H.; Izeddin I.; Loncke F.; De Cooman H.; Callens F.; Gregorkiewicz T.

2nd Aspect Workshop on Advanced Spectroscopy, Kazimierz Dolny, PL, 29/09/2005 - 02/10/2005

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Hendrik De Cooman

Publications

A1 publications

Published

2014

2013

2012

2011

2010

2009

2008

2007

Other publications

Dissertations [MSc and PhD]

PhD thesis

2009

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2010

2009

Talks

2010

2009

2008

2007

2005

Posters

2010

2009

2008

2007

2006

2005

Contact information

References