DFT calculation of EPR parameters of S2-, Se2- and SSe- defects in alkali halide lattices F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, M. Waroquier PosterConference / event / venue The Tenth Meeting of the Benelux EPR SocietyBrussels, BelgiumWednesday, 15 May, 2002 Read more about DFT calculation of EPR parameters of S2-, Se2- and SSe- defects in alkali halide lattices
How to simulate defects in ionic lattices F. Stevens, H. Vrielinck, F. Callens, M. Waroquier PosterConference / event / venue Europen Summerschool 'Ab initio Modeling in Solid State Chemistry'Turin, ItalySunday, 8 September, 2002 to Friday, 13 September, 2002 Read more about How to simulate defects in ionic lattices
Ab-initio investigation of chalcogen defects doped in alkali halide lattices F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, V. Van Speybroeck, M. Waroquier PosterConference / event / venue Doctoral SymposiumGhent Univeristy, Faculty of Engineering, Ghent, BelgiumWednesday, 30 April, 2003 Read more about Ab-initio investigation of chalcogen defects doped in alkali halide lattices
Ab initio investigation of chalcogen defects doped in alkali halides F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, V. Van Speybroeck, M. Waroquier PosterConference / event / venue DFT2003 conference: "The applications of Density Functional Theory in Chemistry and PhysicsBrussels, BelgiumSunday, 7 September, 2003 to Friday, 12 September, 2003 Read more about Ab initio investigation of chalcogen defects doped in alkali halides
Ab-initio investigation of chalcogen defects doped in alkali halides F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, V. Van Speybroeck, M. Waroquier PosterConference / event / venue Quantum Chemistry in Belgium: 6th meeting (QCB6)Ghent, BelgiumFriday, 21 November, 2003 Read more about Ab-initio investigation of chalcogen defects doped in alkali halides
Ab-initio investigation of X- (X = O, S, Se) ions in alkali halide lattices F. Stevens, H. Vrielinck, F. Callens, M. Waroquier PosterConference / event / venue Twelfth Meeting Of the Benelux EPR SocietyAntwerp, BelgiumFriday, 23 April, 2004 Read more about Ab-initio investigation of X- (X = O, S, Se) ions in alkali halide lattices
Ab-initio investigation of X- (X = O, S, Se) ions in alkali halide lattices F. Stevens, H. Vrielinck, F. Callens, E. Pauwels, V. Van Speybroeck, M. Waroquier PosterConference / event / venue Molecular Quantum Mechanics conference : The No Nonsense Path to ProgressCambridge, UKSaturday, 24 July, 2004 to Thursday, 29 July, 2004 Read more about Ab-initio investigation of X- (X = O, S, Se) ions in alkali halide lattices
Ab initio investigation of chalcogen doped alkali halides F. Stevens, H. Vrielinck, V. Van Speybroeck, E. Pauwels, F. Callens, M. Waroquier PosterConference / event / venue DFT2005Geneva, SwitzerlandSunday, 11 September, 2005 to Thursday, 15 September, 2005 Read more about Ab initio investigation of chalcogen doped alkali halides
Ab initio investigation of chalcogen defects alkali halides F. Stevens TalkConference / event / venue 11th Meeting of the Benelux EPR SocietyNijmegen, the NetherlandsThursday, 17 April, 2003 Read more about Ab initio investigation of chalcogen defects alkali halides
Study of radical defects in crystalline lattices from first principles molecular dynamics simulations V. Van Speybroeck, E. Pauwels, F. Stevens, M. Waroquier TalkConference / event / venue DFT2003 conference: "The applications of Density Functional Theory in Chemistry and PhysicsBrussels (Belgium)Sunday, 7 September, 2003 to Friday, 12 September, 2003 Read more about Study of radical defects in crystalline lattices from first principles molecular dynamics simulations