Theoretical Chemistry and Catalysis Group ---

All the Ph.D. theses shown below are available on-line as PDF files. They are however very large (typically 10 Mb, the exact size of the file is given) so it might take a while to download.

To browse and download other Ph.D. theses of the Technical University Eindhoven, or other institutes, click here. You will be redirected to a special-purpose page at our library (in Dutch).

Simulations of interacting adsorbates (library index with link to full text pdf, 2.22 Mb) - C.G.M. Hermse (2004)
Modeling of infrared spectra of acidic groups in zeolites (library index with link to full text, 13.52 Mb) - V.V. Mihaleva (2003)
Ab initio studies of water at metal surfaces (8.62 Mb) - P. Vassilev (2003)
On the surface reconstruction of Pt-Group metals: a theoretical study of adsorbate-induced dynamics (4.62 Mb) - P. van Beurden (2003)
Diffusion in Zeolites: Towards a microscopic understanding (1.48 Mb) - D. Schuring (2002)
Quantum theoretical study of hydrocarbons activated by zeolites (469.4 Mb) - X. Rozanska (2002)
The molecular basis of the Fischer Tropsch reaction (8.8 Mb) - I.M. Ciobica (2001)
or an alternative page where you can select parts to download.
Quantum and classical dynamics of methane scattering (3.5 Mb) - R. Milot (2001)
Quantum chemical computation of infrared spectra of acidic zeolites (2.82 Mb) - E.L. Meiyer (2000)
Theoretical study of nitrile hydrolysis by solid acid catalysts (9.74 Mb) - L.A.M.M. Barbosa (2000)
Monte Carlo simulations of catalytic surface reactions (15.8 Mb) - R.J. Gelten (1999)
Acetoxylation of ethylene to vinyl acetate over palladium-based catalysts (11.5 Mb) - D.D. Kragten (1999)
Computational studies of zeolite catalyzed reactions (6.86 Mb) - S.R. Blaszkowski (1997)
Derivation and evaluation of interatomic potentials for pure-silica materials (4.44 Mb) - K. de Boer (1996)
Quantum chemical studies in catalysis (5.52 Mb) - W. Biemolt (1995)
A quantum chemical study of CH and CC bond activation on transition metals (3.22 Mb) - H. Burghgraef (1995)
A quantum chemical description of proton transfer in zeolites (4.73 Mb) - E.H. Teunissen (1994)
Simulation of physical properties of zeolitic lattices (6.26 Mb) - A.J.M. de Man (1992)