1. Preface

   Legacy Pages: 0 - 0

2. NO adsorption on Pd clusters. A density functional study

   • Hélio A. Duarte
   • Dennis R. Salahub

   OriginalPaper Pages: 123 - 133

3. First-principles analysis of the hydrogenation of carbon monoxide over palladium

   • Matthew Neurock

   OriginalPaper Pages: 135 - 152

4. Transition metals supported on oxides: density functional cluster studies of palladium deposition on MgO(001)

   • Konstantin M. Neyman
   • Stefan Vent
   • Gianfranco Pacchioni

   OriginalPaper Pages: 153 - 161

5. 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

   OriginalPaper Pages: 163 - 180

6. A theoretical explanation of solvent effects in zeolite catalysis

   • John B. Nicholas

   OriginalPaper Pages: 181 - 189

7. Quantum-chemical modeling of the hydrocarbon transformations in acid zeolite catalysts

   • M.V. Frash
   • R.A. van Santen

   OriginalPaper Pages: 191 - 205

8. 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

   OriginalPaper Pages: 207 - 213

9. Diffusion of a para- and ortho-xylene mixture in CIT-1 zeolite: a molecular dynamics study

   • German Sastre
   • Avelino Corma
   • C. Richard A. Catlow

   OriginalPaper Pages: 215 - 224

10. Computational studies on the diffusion behaviour of alkylaromatics in large pore zeolites

    • Ramesh Ch. Deka
    • Rajappan Vetrivel
    • Akira Miyamoto

    OriginalPaper Pages: 225 - 234

11. A density functional study of Ti/MgCl ₂ -supported Ziegler–Natta catalysts

    • Julian D. Gale
    • C. Richard A. Catlow
    • Michael J. Gillan

    OriginalPaper Pages: 235 - 250

12. 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
    • Fabrizio Cavani

    OriginalPaper Pages: 251 - 262