Karen Van Cauter

Publications

A1 publications

Published

2007

[A1 Publication] Density Functional Theory Study of Free-Radical Polymerization of Acrylates and Methacrylates: Structure−Reactivity Relationship

Authors

Değirmenci I.; Avci D.; Aviyente V.; Van Cauter K.; Van Speybroeck V.; Marin G. B.; Waroquier M.

Macromolecules 2007. 40(26): 9590 - 9602.

http://dx.doi.org/10.1021/ma071106i

[A1 Publication] Ab Initio Study of Poly(vinyl chloride) Propagation Kinetics: Head-to-Head versus Head-to-Tail Additions

Authors

Van Cauter K.; Van Speybroeck V.; Waroquier M.

ChemPhysChem 2007. 8(4): 541 - 552.

http://dx.doi.org/0.1002/cphc.200600659

[A1 Publication] Ab Initio Study of Free-Radical Polymerization: Defect Structures in Poly(vinyl chloride)

Authors

Van Cauter K.; Van den Bossche B.; Van Speybroeck V.; Waroquier M.

Macromolecules 2007. 40(4): 1321 - 1331.

http://dx.doi.org/10.1021/ma062174s

2006

[A1 Publication] Ab Initio Study of Free-Radical Polymerization: Polyethylene Propagation Kinetics

Authors

Van Cauter K.; Van Speybroeck V.; Vansteenkiste P.; Reyniers M-F.; Waroquier M.

ChemPhysChem 2006. 7(1): 131 - 140.

http://dx.doi.org/10.1002/cphc.200500249

2005

[A1 Publication] Comparative study of kinetics and reactivity indices of free radical polymerization reactions

Authors

Van Cauter K.; Hemelsoet K.; Van Speybroeck V.; Waroquier M.

International Journal of Quantum Chemistry 2005. 102(4): 454 - 460.

http://dx.doi.org/10.1002/qua.20388

[A1 Publication] Ab Initio Study of Free-Radical Polymerizations: Cost-Effective Methods to Determine the Reaction Rates

Authors

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

ChemPhysChem 2005. 6(1): 180 - 189.

http://dx.doi.org/10.1002/cphc.200400277

Other publications

Dissertations [MSc and PhD]

PhD thesis

2007

[PhD Thesis] Theoretical insights into the propagation techniques and defect formation of free radical polymerization

Authors

Van Cauter K.

Supervisor(s):

prof. dr. Michel Waroquier

prof. dr. ir. Veronique Van Speybroeck

PhD, 31/05/2007.

Master thesis

2002

[MSc Thesis] Microscopische studie van de kinetiek van vrije radicalaire propagatiereacties

Authors

Van Cauter K.

Supervisor(s):

prof. dr. Michel Waroquier

Master of Science in Civil Engineering, 2002.

Talks

2007

[Talk] Rationalization of the polymerization of acrylates

Authors

Aviyente V.; Değirmenci I.; Avci D.; Van Speybroeck V.; Van Cauter K.; Waroquier M.

233rd National Meeting of the Cellulose-and-Renewable-Materials-Division of the American-Chemical-Society (ACS), Chicago, US, 25/03/2007 - 29/03/2007

Posters

2006

[Poster] Formation of Structural Defects in Poly(Vinyl Chloride): a Microscopic Investigation

Authors

Van Cauter K.; Van den Bossche B.; Van Speybroeck V.; Waroquier M.

International Symposium on Radical Polymerization: Kinetics and Mechanism (2006), Il Ciocco, IT, 03/09/2006 - 08/09/2006

[Poster] Ab initio Study of Polymer Propagation Reactions

Authors

Van Cauter K.; Van Speybroeck V.; Waroquier M.

Chemical Reactivity 2006, Brussels, BE, 05/04/2006 - 07/04/2006

[Poster] Ab initio kinetic parameters of free radical polymerisation reactions

Authors

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

[Poster] Comparative study of reactivity indices and kinetics of free radical polymerisation reactions

Authors

Van Cauter K.; Hemelsoet K.; Van Speybroeck V.; Waroquier M.

[Poster] Rate coefficients of radical addition reactions from ab initio static and dynamic molecular simulations

Authors

Van Cauter K.; Van Speybroeck V.; Waroquier M.

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Karen Van Cauter

Publications

A1 publications

Published

2007

2006

2005

Other publications

Dissertations [MSc and PhD]

PhD thesis

2007

Master thesis

2002

Talks

2007

Posters

2006

Contact information

References