Abstract
| Original language | English |
|---|---|
| Title of host publication | Zeolites and Mesoporous Materials at the Dawn of the 21st Century |
| Editors | A. Galarneau |
| Place of Publication | Amsterdam |
| Publisher | Elsevier |
| Pages | 2596-2603 |
| ISBN (Print) | 0-444-50238-6 |
| DOIs | |
| Publication status | Published - 2001 |
| Event | conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13 - Duration: 8 Jul 2001 → 13 Jul 2001 |
Publication series
| Name | Studies in Surface Science and Catalysis |
|---|---|
| Volume | 135 |
| ISSN (Print) | 0167-2991 |
Conference
| Conference | conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13 |
|---|---|
| Period | 8/07/01 → 13/07/01 |
| Other | 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001 |
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A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites. / Rozanska, X.; Santen, van, R.A.; Hutschka, F.; Hafner, J.
Zeolites and Mesoporous Materials at the Dawn of the 21st Century. ed. / A. Galarneau. Amsterdam : Elsevier, 2001. p. 2596-2603 (Studies in Surface Science and Catalysis; Vol. 135).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review
TY - GEN
T1 - A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites.
AU - Rozanska, X.
AU - Santen, van, R.A.
AU - Hutschka, F.
AU - Hafner, J.
PY - 2001
Y1 - 2001
N2 - A DFT study of the isomerization reactions of toluene catalyzed by acidic zeolite is reported. Monomol. isomerization reactions have been considered and analyzed The different reaction pathways have been discussed in detail. The uses of periodical structure calcns. as well as small cluster approach method calcns. allow to analyze the effect of zeolite electrostatic contributions and steric constraints on reactivity
AB - A DFT study of the isomerization reactions of toluene catalyzed by acidic zeolite is reported. Monomol. isomerization reactions have been considered and analyzed The different reaction pathways have been discussed in detail. The uses of periodical structure calcns. as well as small cluster approach method calcns. allow to analyze the effect of zeolite electrostatic contributions and steric constraints on reactivity
U2 - 10.1016/S0167-2991(01)81559-7
DO - 10.1016/S0167-2991(01)81559-7
M3 - Conference contribution
SN - 0-444-50238-6
T3 - Studies in Surface Science and Catalysis
SP - 2596
EP - 2603
BT - Zeolites and Mesoporous Materials at the Dawn of the 21st Century
A2 - Galarneau, A.
PB - Elsevier
CY - Amsterdam
ER -