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. and others. (1997) Modelling of structure, sorption, synthesis and reactivity in catalytic systems. Journal of Molecular Catalysis A: Chemical, 115 (3). pp. 431-448. ISSN 1381-1169. (doi:10.1016/S1381-1169(96)00349-4) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:46835)
| The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. | |
| Official URL: http://dx.doi.org/10.1016/S1381-1169(96)00349-4 |
Abstract
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 in aluminophosphates and reaction mechanisms on oxide surfaces and at acid sites in zeolites. We emphasise the role of modelling techniques in the interpretation of experimental studies in catalysis.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1016/S1381-1169(96)00349-4 |
| Subjects: | Q Science |
| Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
| Depositing User: | Dean Sayle |
| Date Deposited: | 20 Mar 2015 16:12 UTC |
| Last Modified: | 16 Nov 2021 10:19 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/46835 (The current URI for this page, for reference purposes) |
University of Kent Author Information
Sayle, D.C..
| Creator's ORCID: |
 https://orcid.org/0000-0001-7227-9010
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