A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites.

X. Rozanska; R.A. Santen, van; F. Hutschka; J. Hafner

doi:10.1016/S0167-2991(01)81559-7

A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites.

X. Rozanska
, R.A. Santen, van
, F. Hutschka
, J. Hafner

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/Congresprocedure › Conferentiebijdrage › Academic › peer review

Samenvatting

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

Originele taal-2	Engels
Titel	Zeolites and Mesoporous Materials at the Dawn of the 21st Century
Redacteuren	A. Galarneau
Plaats van productie	Amsterdam
Uitgeverij	Elsevier
Pagina's	2596-2603
Aantal pagina's	8
ISBN van geprinte versie	0-444-50238-6
DOI's	https://doi.org/10.1016/S0167-2991(01)81559-7
Status	Gepubliceerd - 2001
Evenement	conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13 - Duur: 8 jul. 2001 → 13 jul. 2001

Publicatie series

Naam	Studies in Surface Science and Catalysis
Volume	135
ISSN van geprinte versie	0167-2991

Congres

Congres	conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13
Periode	8/07/01 → 13/07/01
Ander	13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001

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10.1016/S0167-2991(01)81559-7

Citeer dit

Rozanska, X., Santen, van, R. A., Hutschka, F., & Hafner, J. (2001). A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites. In A. Galarneau (editor), Zeolites and Mesoporous Materials at the Dawn of the 21st Century (blz. 2596-2603). (Studies in Surface Science and Catalysis; Vol. 135). Elsevier. https://doi.org/10.1016/S0167-2991(01)81559-7

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title = "A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites.",

abstract = "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",

author = "X. Rozanska and \{Santen, van\}, R.A. and F. Hutschka and J. Hafner",

year = "2001",

doi = "10.1016/S0167-2991(01)81559-7",

language = "English",

isbn = "0-444-50238-6",

series = "Studies in Surface Science and Catalysis",

publisher = "Elsevier",

pages = "2596--2603",

editor = "A. Galarneau",

booktitle = "Zeolites and Mesoporous Materials at the Dawn of the 21st Century",

address = "Netherlands",

note = "conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13 ; Conference date: 08-07-2001 Through 13-07-2001",

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Rozanska, X, Santen, van, RA, Hutschka, F & Hafner, J 2001, A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites. in A Galarneau (reds.), Zeolites and Mesoporous Materials at the Dawn of the 21st Century. Studies in Surface Science and Catalysis, vol. 135, Elsevier, Amsterdam, blz. 2596-2603, conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13, 8/07/01. https://doi.org/10.1016/S0167-2991(01)81559-7

A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites. / Rozanska, X.; Santen, van, R.A.; Hutschka, F. et al.
Zeolites and Mesoporous Materials at the Dawn of the 21st Century. reds. / A. Galarneau. Amsterdam: Elsevier, 2001. blz. 2596-2603 (Studies in Surface Science and Catalysis; Vol. 135).

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/Congresprocedure › Conferentiebijdrage › 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

T2 - conference; 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001; 2001-07-08; 2001-07-13

Y2 - 8 July 2001 through 13 July 2001

ER -

A DFT study of the isomerization reactions of aromatics catalyzed by acidic zeolites.

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Congres

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