Manage settings
MENU
About this site
In het Nederlands
Home
Researchers
Projects
Organisations
Publications
Infrastructure
Contact
Research Explorer
Your browser does not support JavaScript or JavaScript is not enabled. Without JavaScript some functions of this webapplication may be disabled or cause error messages. To enable JavaScript, please consult the manual of your browser or contact your system administrator.
Researcher
Ewald Pauwels
Profile
Projects
Publications
Activities
Awards & Distinctions
89
Results
2019
Biological characterisation of somatropin-derived cryptic peptides
Liesa Tack
Nathalie Bracke
Frederick Verbeke
Evelien Wynendaele
Ewald Pauwels
Alex Maes
Christophe Van de Wiele
Mike Sathekge
Bart De Spiegeleer
A1
Journal Article
in
INTERNATIONAL JOURNAL OF PEPTIDE RESEARCH AND THERAPEUTICS
2019
2018
Germline gain-of-function myeloid differentiation primary response gene-88 (MYD88) mutation in a child with severe arthritis
Keith A Sikora
Joshua R Bennett
Laurens Vyncke
Zuoming Deng
Wanxia Li Tsai
Ewald Pauwels
Gerlinde Layh-Schmitt
April Brundidge
Fatemeh Navid
Kristien JM Zaal
et al.
A1
Journal Article
in
JOURNAL OF ALLERGY AND CLINICAL IMMUNOLOGY
2018
2017
Solid-state structure of cyclic dipeptides : an X-ray and computational study of cis- and trans-diketo-piperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Milos Budesinsky
Ivana Cisarova
Frans Borremans
José Martins
Ewald Pauwels
A1
Journal Article
in
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
2017
2016
Reconstructing the TIR side of the myddosome: a paradigm for TIR-TIR interactions
Laurens Vyncke
Celia Bovijn
Ewald Pauwels
Tim Van Acker
Elien Ruyssinck
Elianne Burg
Jan Tavernier
Frank Peelman
A1
Journal Article
in
STRUCTURE
2016
Structural principles of binding duality in cognate and viral cytokine receptors
Jan Félix
Savvas Savvides
Ewald Pauwels
Dissertation
2016
2015
Reconstructing the TIR side of the Myddosome: a paradigm for TIR-TIR interactions?
Laurens Vyncke
Celia Bovijn
Ewald Pauwels
Tim Van Acker
Elien Ruyssinck
Jan Tavernier
Frank Peelman
C3
Conference
2015
2014
Analytical characterisation of NOTA-modified somatropins
Nathalie Bracke
Evelien Wynendaele
Matthias D'Hondt
Rob Haselberg
Govert W Somsen
Ewald Pauwels
Christophe Van De Wiele
Bart De Spiegeleer
A1
Journal Article
in
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
2014
Automated generation of radical species in crystalline carbohydrate using ab initio MD simulations
Siv G Aalbergsjo
Ewald Pauwels
Andy Van Yperen-De Deyne
Veronique Van Speybroeck
Einar Sagstuen
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2014
Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics
Andy Van Yperen-De Deyne
Thierry De Meyer
Ewald Pauwels
An Ghysels
Karen De Clerck
Michel Waroquier
Veronique Van Speybroeck
Karen Hemelsoet
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2014
Radiation induced damage in biomolecules : an ab initio molecular dynamics study on crystalline α-L-rhamnose
Siv G Aalbergsjø
Ewald Pauwels
Andy Van Yperen-De Deyne
Veronique Van Speybroeck
Einar Sagstuen
C3
Conference
2014
Solved?: the reductive radiation chemistry of alanine
Ewald Pauwels
Hendrik De Cooman
Michel Waroquier
Eli O Hole
Einar Sagstuen
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2014
Structural basis of the proinflammatory signaling complex mediated by TSLP
Kenneth Verstraete
Loes van Schie
Laurens Vyncke
Yehudi Bloch
Jan Tavernier
Ewald Pauwels
Frank Peelman
Savvas Savvides
A1
Journal Article
in
NATURE STRUCTURAL & MOLECULAR BIOLOGY
2014
Uncovering radiation chemistry in the solid state through periodic density-functional calculations: confrontation with experimental results and beyond
Ewald Pauwels
Bookchapter
in
Applications of EPR in radiation research
2014
2013
Accurate prediction of ¹H chemical shifts in interstrand cross-linked DNA
Ewald Pauwels
Diederica Claeys
José Martins
Michel Waroquier
Giuseppe Bifulco
Veronique Van Speybroeck
Annemieke Madder
A1
Journal Article
in
RSC ADVANCES
2013
Human IL-34 and CSF-1 establish structurally similar extracellular assemblies with their common hematopoietic receptor
Jan Félix
Jonathan Elegheert
Irina Gutsche
Alexander Shkumatov
Yurong Wen
Nathalie Bracke
Erwin Pannecoucke
Isabel Vandenberghe
Bart Devreese
Dmitri Svergun
et al.
A1
Journal Article
in
STRUCTURE
2013
Structural specificity of alkoxy radical formation in crystalline carbohydrates
Siv G. Aalbergsjø
Ewald Pauwels
Hendrik De Cooman
Eli O. Hole
Einar Sagstuen
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2013
Why are only certain radicals formed in sugars after irradiation?
Siv G Aalbergsjø
Ewald Pauwels
Hendrik De Cooman
Eli O Hole
Einar Sagstuen
C3
Conference
2013
2012
Accurate spin-orbit and spin-other-orbit contributions to the g-tensor for transition metal containing systems
Andy Van Yperen-De Deyne
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2012
An REMD and QM/MM study into the sequence effect on asparagine deamidation
Ewald Pauwels
Samuel Moors
Jan Félix
Savvas Savvides
Michel Waroquier
Veronique Van Speybroeck
Saron Catak
C3
Conference
2012
Assessment of atomic charge models for gas-phase computations on polypeptides
Toon Verstraelen
Ewald Pauwels
Frank De Proft
Veronique Van Speybroeck
Paul Geerlings
Michel Waroquier
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2012
Effect of the (n +1) residue on peptide deamidation
Saron Catak
Jan Félix
Veronique Van Speybroeck
Michel Waroquier
Ewald Pauwels
C3
Conference
2012
Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach
Andy Van Yperen-De Deyne
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
C3
Conference
2012
In vitro metabolic stability of iodinated obestatin peptides
Bart De Spiegeleer
Sylvia Van Dorpe
Valentijn Vergote
Evelien Wynendaele
Ewald Pauwels
Christophe Van De Wiele
Pablo Garcia-Solis
Juan Carlos Solis-Sainz
A1
Journal Article
in
PEPTIDES
2012
Investigating the halochromic properties of azo dyes in an aqueous environment by using a combined experimental and theoretical approach
Thierry De Meyer
Karen Hemelsoet
Lien Van der Schueren
Ewald Pauwels
Karen De Clerck
Veronique Van Speybroeck
A1
Journal Article
in
CHEMISTRY-A EUROPEAN JOURNAL
2012
The pH-sensitive properties of azo dyes in aqueous environment
Thierry De Meyer
Karen Hemelsoet
Lien Van der Schueren
Ewald Pauwels
Karen De Clerck
Veronique Van Speybroeck
C3
Conference
2012
The potential role of quorum-sensing peptides in oncology
Evelien Wynendaele
Ewald Pauwels
Christophe Van De Wiele
Christian Burvenich
Bart De Spiegeleer
A1
Journal Article
in
MEDICAL HYPOTHESES
2012
UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study
Thierry De Meyer
Karen Hemelsoet
Lien Van der Schueren
Ewald Pauwels
Karen De Clerck
Veronique Van Speybroeck
C3
Conference
2012
2011
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
Andy Van Yperen-De Deyne
Ewald Pauwels
Veronique Van Speybroeck
Henk Vrielinck
Freddy Callens
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2011
Classification of quorum-sensing peptides
Evelien Wynendaele
Ewald Pauwels
Christophe Van De Wiele
Antoon Bronselaer
Guy De Tré
Bart De Spiegeleer
C3
Conference
2011
Cluster or periodic, static or dynamic: the challenge of calculating the g tensor of the solid-state glycine radical
Ewald Pauwels
James Asher
Martin Kaupp
Michel Waroquier
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2011
Development of a quorum-sensing peptide database: quorumpeps
Evelien Wynendaele
Antoon Bronselaer
Guy De Tré
Ewald Pauwels
Maxime Boucart
Christophe Van De Wiele
Bart De Spiegeleer
C3
Conference
2011
Peptide deamidation : effect of neighboring residues
Saron Catak
Jan Félix
Savvas Savvides
Veronique Van Speybroeck
Michel Waroquier
Ewald Pauwels
C3
Conference
2011
2010
Comparative study of various normal mode analysis techniques based on partial Hessians
An Ghysels
Veronique Van Speybroeck
Ewald Pauwels
Saron Catak
Bernard R Brooks
Dimitri Van Neck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2010
Conformational sampling of macrocyclic alkenes using a Kennard Stone-based algorithm
Diederica Claeys
Toon Verstraelen
Ewald Pauwels
Christian Stevens
Michel Waroquier
Veronique Van Speybroeck
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2010
DFT and TDDFT studies of deprotonation from oxygen in rhamnose cations
Siv G Aalbergsjø
Hendrik De Cooman
EO Hole
E Sagstuen
Ewald Pauwels
C3
Conference
2010
Direct-effect radiation chemistry of solid-state carbohydrates using EMR and DFT
Hendrik De Cooman
Mihaela Adeluta Tarpan
Ewald Pauwels
Henk Vrielinck
E Sagstuen
Michel Waroquier
Freddy Callens
C3
Conference
2010
Electron magnetic resonance and density functional theory study of room temperature X-irradiated β-D-fructose single crystals
Mihaela Adeluta Tarpan
Ewald Pauwels
Henk Vrielinck
Michel Waroquier
Freddy Callens
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2010
HPLC-MS characterisation of chelate modified somatropin
Evelien Wynendaele
Ewald Pauwels
Sylvia Van Dorpe
Valentijn Vergote
Christophe Van De Wiele
Bart De Spiegeleer
C3
Conference
2010
Influence of protein environment on the EPR properties of flavoprotein radicals: a QM/MM study
Ewald Pauwels
Reinout Declerck
Toon Verstraelen
Bart De Sterck
CWM Kay
Veronique Van Speybroeck
Michel Waroquier
C3
Conference
2010
Influence of protein environment on the electron paramagnetic resonance properties of flavoprotein radicals: a QM/MM study
Ewald Pauwels
Reinout Declerck
Toon Verstraelen
Bart De Sterck
Christopher WM Kay
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2010
LC-MS characterization and cell-binding properties of chelate modified somatropin
Evelien Wynendaele
Koen Mertens
Ewald Pauwels
Christophe Van De Wiele
Bart De Spiegeleer
C3
Conference
2010
LC-MS quality control of modified pharmaceutical proteins : the somatropin case
Evelien Wynendaele
Ewald Pauwels
Christophe Van De Wiele
Sylvia Van Dorpe
Bart De Spiegeleer
C3
Conference
2010
On the identity of the radiation-induced stable alanine radical
Ewald Pauwels
Hendrik De Cooman
Michel Waroquier
Eli O Hole
Einar Sagstuen
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2010
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
Henk Vrielinck
Einar Sagstuen
Michel Waroquier
Freddy Callens
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2010
Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo (Pip-Phe), cyclo (Pro-Phe) and their N-methyl derivatives
Milos Budesinsky
Ivana Cisarova
Jaroslav Podlaha
Frans Borremans
José Martins
Michel Waroquier
Ewald Pauwels
A1
Journal Article
in
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
2010
The metabolisation of different iodinated peptide species
Bart De Spiegeleer
Sylvia Van Dorpe
Ewald Pauwels
C3
Conference
2010
The metabolisation of different iodinated peptide species
Bart De Spiegeleer
Sylvia Van Dorpe
Ewald Pauwels
C3
Conference
2010
Which role do excited states play in radiation damage to organic solid-state compounds?
Hendrik De Cooman
Siv G. Aalbergsjø
Ewald Pauwels
E. Sagstuen
E.O. Hole
Freddy Callens
Michel Waroquier
C3
Conference
2010
2009
Calculating EPR properties: accounting for molecular environment and temperature in DFT
Ewald Pauwels
C3
Conference
2009
Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals
Mihaela Adeluta Tarpan
Hendrik De Cooman
Ewald Pauwels
Michel Waroquier
E. Sagstuen
Freddy Callens
C3
Conference
2009
DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices
Nuriya Sakhabutdinova
Ewald Pauwels
Henk Vrielinck
Freddy Callens
Michel Waroquier
C3
Conference
2009
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
Henk Vrielinck
Einar Sagstuen
Sabine Van Doorslaer
Freddy Callens
Michel Waroquier
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2009
Elucidation of radiation-induced processes using DFT calculations
Ewald Pauwels
E Sagstuen
EO Hole
Michel Waroquier
C3
Conference
2009
Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules
An Ghysels
Veronique Van Speybroeck
Ewald Pauwels
Dimitri Van Neck
Bernard R. Brooks
Michel Waroquier
A1
Journal Article
in
Journal of Chemical Theory and Computation
2009
Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters
Hendrik De Cooman
Ewald Pauwels
Henk Vrielinck
E. Sagstuen
Freddy Callens
Michel Waroquier
C3
Conference
2009
QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins
Saron Catak
Bart De Sterck
Ewald Pauwels
Gerald Monard
Manuel F. Ruiz-Lopez
Viktorya Aviyente
Michel Waroquier
Veronique Van Speybroeck
C3
Conference
2009
Radiation-induced radical formation in solid state sugars: a review of recent EMR and DFT results
Hendrik De Cooman
Ewald Pauwels
Henk Vrielinck
E. Sagstuen
Michel Waroquier
Freddy Callens
C3
Conference
2009
Thermally activated reactions of radiation-induced radicals in sugar single crystals: an electron magnetic resonance and DFT study
Hendrik De Cooman
Henk Vrielinck
Ewald Pauwels
E. Sagstuen
Michel Waroquier
Freddy Callens
C3
Conference
2009
2008
Combined electron magnetic resonance and density functional theory study of 10 K x-irradiated beta-D-Fructose single crystals
Mihaela Adeluta Tarpan
E SAGSTUEN
Ewald Pauwels
Henk Vrielinck
Michel Waroquier
Freddy Callens
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2008
Effect of temperature on the EPR properties of a rhamnose alkoxy radical: A DFT molecular dynamics study
Ewald Pauwels
Toon Verstraelen
Michel Waroquier
A1
Journal Article
in
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
2008
Evidence for a Grotthuss-like mechanism in the formation of the rhamnose alkoxy radical based on periodic DFT calculations
Ewald Pauwels
Reinout Declerck
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
RADIATION RESEARCH
2008
Identification and conformational study of stable radiation-induced defects in sucrose single crystals using density functional theory calculations of electron magnetic resonance parameters
Hendrik De Cooman
Ewald Pauwels
Henk Vrielinck
E SAGSTUEN
Freddy Callens
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2008
Identifying radiation-induced radicals and their formation mechanisms in sugars and sugar derivatives using DFT methods
Hendrik De Cooman
Ewald Pauwels
Henk Vrielinck
Freddy Callens
Michel Waroquier
C3
Conference
2008
Molecular environment and temperature dependence of hyperfine interactions in sugar crystal radicals from first principles
Reinout Declerck
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2008
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
Hendrik De Cooman
Gauthier Vanhaelewyn
Ewald Pauwels
E SAGSTUEN
Michel Waroquier
Freddy Callens
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2008
Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms
Ewald Pauwels
Hendrik De Cooman
Gauthier Vanhaelewyn
E SAGSTUEN
Freddy Callens
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2008
Radiation-induced defects in sucrose single crystals, revisited: a combined electron magnetic resonance and density functional theory study
Hendrik De Cooman
Ewald Pauwels
Henk Vrielinck
Anna Dimitrova
N Yordanov
E Sagstuen
Michel Waroquier
Freddy Callens
A1
Journal Article
in
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
2008
Radicals in Sucrose Single Crystals Induced by X-rays at Different Temperatures: a Combined EPR and DFT Study
Hendrik De Cooman
Ewald Pauwels
Henk Vrielinck
E. Sagstuen
Michel Waroquier
Freddy Callens
C3
Conference
2008
Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: Vibrational analysis and comparison with EPR experiments
Ewald Pauwels
Toon Verstraelen
Hendrik De Cooman
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2008
2006
First-principles calculations of hyperfine parameters with the Gaussian and augmented-plane-wave method : application to radicals embedded in a crystalline environment
Reinout Declerck
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
PHYSICAL REVIEW B
2006
Q-band EPR and ENDOR of low temperature X-irradiated beta-D-fructose single crystals
Gauthier Vanhaelewyn
Ewald Pauwels
Freddy Callens
Michel Waroquier
E SAGSTUEN
Paul Matthys
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2006
Radiation-induced radicals in alpha-D-glucose : comparing DFT cluster calculations with magnetic resonance experiments
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
2006
Study of rhamnose radicals in the solid state adopting a density functional theory cluster approach
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2006
X- (X = O, S, Se) ions in alkali halide lattices through density functional calculations. 2. Interstitial defect models
Veronique Van Speybroeck
Franky Stevens
Ewald Pauwels
Henk Vrielinck
Freddy Callens
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2006
2005
Ab initio EPR study of S-3(-) and Se-3(-) defects in alkali halides
Franky Stevens
Henk Vrielinck
Freddy Callens
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2005
How should we calculate multi-dimensional potential energy surfaces for an accurate reproduction of partition functions?
Peter Vansteenkiste
Veronique Van Speybroeck
Ewald Pauwels
Michel Waroquier
A1
Journal Article
in
CHEMICAL PHYSICS
2005
Level of theory study of magnetic resonance parameters of chalcogen XY- (X, Y=O, S and Se) defects in alkali halides
Franky Stevens
Veronique Van Speybroeck
Ewald Pauwels
Henk Vrielinck
Freddy Callens
Michel Waroquier
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2005
Rules for generating conformers and their relative energies in n-alkanes with a heteroelement O or S: Ethers and alcohols, or sulfides and thiols
Peter Vansteenkiste
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2005
Study of radical defects in crystalline lattices from first-principles molecular dynamics simulations
Veronique Van Speybroeck
Ewald Pauwels
Franky Stevens
Freddy Callens
Michel Waroquier
A1
Journal Article
in
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2005
2004
DFT-EPR study of radiation-induced radicals in alpha-D-glucose
Ewald Pauwels
Veronique Van Speybroeck
Gauthier Vanhaelewyn
Freddy Callens
Michel Waroquier
A1
Journal Article
in
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2004
Density functional theory as a tool for the structure determination of radiation-induced bioradicals
F DE PROFT
Ewald Pauwels
P LAHORTE
Veronique Van Speybroeck
Michel Waroquier
P GEERLINGS
A1
Journal Article
in
MAGNETIC RESONANCE IN CHEMISTRY
2004
Evaluation of different model space approaches based on DFT to examine the EPR parameters of a radiation-induced radical in solid-state alpha-glycine
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2004
Experimental and theoretical electron magnetic resonance study on radiation-induced radicals in alpha-L-sorbose single crystals
Gauthier Vanhaelewyn
B JANSEN
Ewald Pauwels
E SAGSTUEN
Michel Waroquier
Freddy Callens
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2004
First-principles study of radiation-induced radicals in solid-state amino acids and sugars: confrontation of density-functional calculations with experimental results
Ewald Pauwels
Michel Waroquier
Dissertation
2004
2003
Ab initio investigation of electron paramagnetic resonance parameters of S-2(-), SSe-, and Se-2(-) radicals in alkali halides
Franky Stevens
Henk Vrielinck
Freddy Callens
Ewald Pauwels
Michel Waroquier
A1
Journal Article
in
PHYSICAL REVIEW B
2003
Application of molecular cluster models to study the amino acid L-alpha-alanine and its derived radicals in the crystalline state
Ewald Pauwels
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2003
2002
Density-functional study of S-2(-) defects in alkali halides
Franky Stevens
Henk Vrielinck
Freddy Callens
Ewald Pauwels
Michel Waroquier
A1
Journal Article
in
PHYSICAL REVIEW B
2002
Tentative structures for the radiation-induced radicals in crystalline beta-D-fructose using density functional theory.
Ewald Pauwels
P LAHORTE
Gauthier Vanhaelewyn
Freddy Callens
F DE PROFT
P GEERLINGS
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2002
2001
Density functional calculations on alanine-derived radicals: Influence of molecular environment on EPR hyperfine coupling constants.
Ewald Pauwels
Veronique Van Speybroeck
Philippe Lahorte
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2001