Modelling of structure, sorption, synthesis and reactivity in catalytic systems

We illustrate the current status of the application of computer modelling methods to catalytic systems by taking recent examples from modelling of both long range and local structural properties of microporous materials, surface structures of oxides, sorption in zeolites, host–template interactions...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of molecular catalysis. A, Chemical Chemical, 1997-02, Vol.115 (3), p.431-448
Hauptverfasser:	Catlow, C.R.A., Ackermann, L., Bell, R.G., Gay, D.H., Holt, S., Lewis, D.W., Nygren, M.A., Sastre, G., Sayle, D.C., Sinclair, P.E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysis Catalysts: preparations and properties Chemistry Exact sciences and technology General and physical chemistry Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!