| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A density functional study of Ti/MgCl2-supported Ziegler–Natta catalysts
|
Gale, Julian D.
|
|
1999
|
9 |
3-4 |
p. 235-250
|
article
|
| 2 |
A density functional theory study of hydrogen recombination and hydrogen-deuterium exchange on Ga/H-ZSM-5
|
Gonzales, Nick O.
|
|
1999
|
9 |
3-4 |
p. 207-213
|
article
|
| 3 |
A theoretical explanation of solvent effects in zeolite catalysis
|
Nicholas, John B.
|
|
1999
|
9 |
3-4 |
p. 181-189
|
article
|
| 4 |
Computational studies on the diffusion behaviour of alkylaromatics in large pore zeolites
|
Deka, Ramesh Ch.
|
|
1999
|
9 |
3-4 |
p. 225-234
|
article
|
| 5 |
Diffusion of a para- and ortho-xylene mixture in CIT-1 zeolite: a molecular dynamics study
|
Sastre, German
|
|
1999
|
9 |
3-4 |
p. 215-224
|
article
|
| 6 |
First-principles analysis of the hydrogenation of carbon monoxide over palladium
|
Neurock, Matthew
|
|
1999
|
9 |
3-4 |
p. 135-152
|
article
|
| 7 |
NO adsorption on Pd clusters. A density functional study
|
Duarte, Hélio A.
|
|
1999
|
9 |
3-4 |
p. 123-133
|
article
|
| 8 |
Preface
|
|
|
1999
|
9 |
3-4 |
p. 0
|
article
|
| 9 |
Quantum-chemical modeling of the hydrocarbon transformations in acid zeolite catalysts
|
Frash, M.V.
|
|
1999
|
9 |
3-4 |
p. 191-205
|
article
|
| 10 |
The dynamics of hydrogen bonds and proton transfer in zeolites – joint vistas from solid-state NMR and quantum chemistry
|
Koller, Hubert
|
|
1999
|
9 |
3-4 |
p. 163-180
|
article
|
| 11 |
This paper was incompletely published in Topics in Catalysis Volume 3 (1996) pp. 387–406. The complete version is printed below.
|
Comuzzi, Clara
|
|
1999
|
9 |
3-4 |
p. 251-262
|
article
|
| 12 |
Transition metals supported on oxides: density functional cluster studies of palladium deposition on MgO(001)
|
Neyman, Konstantin M.
|
|
1999
|
9 |
3-4 |
p. 153-161
|
article
|
Journal description