Dr. Karen Van Cauter

A1 publications

2007

Ab Initio Study of Poly(vinyl chloride) Propagation Kinetics: Head-to-Head versus Head-to-Tail Additions , K. Van Cauter, V. Van Speybroeck, M. Waroquier , ChemPhysChem , 8, 541-552 , 2007 , IF: 3.502 , 23/111 [Q1]
Ab Initio Study of Free-Radical Polymerization:  Defect Structures in Poly(vinyl chloride) , K. Van Cauter, B. Van den Bossche, V. Van Speybroeck, M. Waroquier , Macromolecules , 40 (4), 1321-1331 , 2007 , IF: 4.802
Density Functional Theory Study of Free-Radical Polymerization of Acrylates and Methacrylates:  Structure−Reactivity Relationship , I. Değirmenci, D. Avci, V. Aviyente, K. Van Cauter, V. Van Speybroeck, G.B. Marin, M. Waroquier , Macromolecules , 40 (26), 9590–9602 , 2007 , IF: 4.802

2006

Ab Initio Study of Free-Radical Polymerization: Polyethylene Propagation Kinetics , K. Van Cauter, V. Van Speybroeck, P. Vansteenkiste, M-F. Reyniers, M. Waroquier , ChemPhysChem , 7 (1), 131-140 , 2006 , IF: 3.449

2005

Comparative study of kinetics and reactivity indices of free radical polymerization reactions , K. Van Cauter, K. Hemelsoet, V. Van Speybroeck, M. Waroquier , International Journal of Quantum Chemistry , 102 (4), 454-460 , 2005 , IF: 1.192
Ab Initio Study of Free-Radical Polymerizations: Cost-Effective Methods to Determine the Reaction Rates , V. Van Speybroeck, K. Van Cauter, B. Coussens, M. Waroquier , ChemPhysChem , 6 (1), 180-189 , 2005 , IF: 2.519

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

Talks

2007

Rationalization of the polymerization of acrylates , V. Aviyente, I. Değirmenci, D. Avci, V. Van Speybroeck, K. Van Cauter, M. Waroquier , 233rd National Meeting of the Cellulose-and-Renewable-Materials-Division of the American-Chemical-Society (ACS) , Chicago, IL, USA , Sun, 25/03/2007 to Thu, 29/03/2007

Posters

2006

Formation of Structural Defects in Poly(Vinyl Chloride): a Microscopic Investigation , K. Van Cauter, B. Van den Bossche, V. Van Speybroeck, M. Waroquier , International Symposium on Radical Polymerization: Kinetics and Mechanism , Il Ciocco (Lucca) Tuscany, Italy , Sun, 03/09/2006 to Fri, 08/09/2006
Ab initio Study of Polymer Propagation Reactions , K. Van Cauter, V. Van Speybroeck, M. Waroquier , Chemical Reactivity , Brussels, Belgium , Wed, 05/04/2006 to Fri, 07/04/2006

2003

Ab initio kinetic parameters of free radical polymerisation reactions , K. Van Cauter, V. Van Speybroeck, B. Coussens, M. Waroquier , DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics , Brussels, Belgium , Sun, 07/09/2003 to Fri, 12/09/2003
Comparative study of reactivity indices and kinetics of free radical polymerisation reactions , K. Van Cauter, K. Hemelsoet, V. Van Speybroeck, M. Waroquier , DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics , Brussels, Belgium , Sun, 07/09/2003 to Fri, 12/09/2003

2002

Rate coefficients of radical addition reactions from ab initio static and dynamic molecular simulations , K. Van Cauter, V. Van Speybroeck, M. Waroquier , EUCO-CC4, 4th European Conference on Computational Chemistry , Assisi, Italy , Sun, 01/09/2002 to Fri, 06/09/2002

Dissertations

(D1) , Theoretical insights into the propagation techniques and defect formation of free radical polymerization , K. Van Cauter , Supervisor(s): Prof. Dr. Michel Waroquier, Prof. Dr. ir. Veronique Van Speybroeck , 31/05/2007
(D2) , Microscopische studie van de kinetiek van vrije radicalaire propagatiereacties , K. Van Cauter , Supervisor(s): Prof. Dr. Michel Waroquier , 2002