M. Waroquier

Probing the structure of similar radicals in glucose, fructose and sorbose

E. Pauwels, V. Van Speybroeck, F. Callens, M. Waroquier

Poster

Conference / event / venue

DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics

Brussels, Belgium

Sunday, 7 September, 2003 to Friday, 12 September, 2003

Ab initio investigation of chalcogen defects doped in alkali halides

F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics

Brussels, Belgium

Sunday, 7 September, 2003 to Friday, 12 September, 2003

Ab initio kinetic parameters of free radical polymerisation reactions

K. Van Cauter, V. Van Speybroeck, B. Coussens, M. Waroquier

Poster

Conference / event / venue

DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics

Brussels, Belgium

Sunday, 7 September, 2003 to Friday, 12 September, 2003

Influence of variable moments of inertia in internal rotations in butane, pentane and hexane

P. Vansteenkiste, D. Van Neck, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics

Brussels, Belgium

Sunday, 7 September, 2003 to Friday, 12 September, 2003

DFT-based Reactivity Indices within Radical Reactions

K. Hemelsoet, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Quantum Chemistry in Belgium: 6th meeting (QCB6)

Ghent, Belgium

Friday, 21 November, 2003

Ab-initio investigation of chalcogen defects doped in alkali halides

F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Quantum Chemistry in Belgium: 6th meeting (QCB6)

Ghent, Belgium

Friday, 21 November, 2003

Exploration of novel reaction pathways using thermally non-equilibrium ab initio molecular dynamics simulations

D. Lesthaeghe, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Quantum Chemistry in Belgium: 6th meeting (QCB6)

Ghent, Belgium

Friday, 21 November, 2003

DFT-based Reactivity Indices within Radical Reactions

K. Hemelsoet, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Doctoral Symposium

Ghent Univeristy, Faculty of Engineering, Ghent, Belgium

Wednesday, 3 December, 2003

Exploration of novel reaction pathways using thermally non-equilibrium ab initio molecular dynamics simulations

D. Lesthaeghe, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Doctoral Symposium

Ghent Univeristy, Faculty of Engineering, Ghent, Belgium

Wednesday, 3 December, 2003

Ab-initio investigation of X- (X = O, S, Se) ions in alkali halide lattices

F. Stevens, H. Vrielinck, F. Callens, M. Waroquier

Poster

Conference / event / venue

Twelfth Meeting Of the Benelux EPR Society

Antwerp, Belgium

Friday, 23 April, 2004

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