Issue 3-4/1999
Content (12 Articles)
Transition metals supported on oxides: density functional cluster studies of palladium deposition on MgO(001)
Konstantin M. Neyman, Stefan Vent, Notker Rösch, Gianfranco Pacchioni
The dynamics of hydrogen bonds and proton transfer in zeolites – joint vistas from solid-state NMR and quantum chemistry
Hubert Koller, Günter Engelhardt, Rutger A. van Santen
Quantum-chemical modeling of the hydrocarbon transformations in acid zeolite catalysts
M.V. Frash, R.A. van Santen
A density functional theory study of hydrogen recombination and hydrogen-deuterium exchange on Ga/H-ZSM-5
Nick O. Gonzales, Arup K. Chakraborty, Alexis T. Bell
Diffusion of a para- and ortho-xylene mixture in CIT-1 zeolite: a molecular dynamics study
German Sastre, Avelino Corma, C. Richard A. Catlow
Computational studies on the diffusion behaviour of alkylaromatics in large pore zeolites
Ramesh Ch. Deka, Rajappan Vetrivel, Akira Miyamoto
A density functional study of Ti/MgCl 2 -supported Ziegler–Natta catalysts
Julian D. Gale, C. Richard A. Catlow, Michael J. Gillan
This paper was incompletely published in Topics in Catalysis Volume 3 (1996) pp. 387–406. The complete version is printed below.
Clara Comuzzi, Alessandra Primavera, Alessandro Trovarelli, Gianluca Bini, Fabrizio Cavani