Catlow, C.R.A., Gay, D.H., Rohl, A.L., Sayle, D.C. (1996) Simulating the structures of crystals and their surfaces. Topics in Catalysis, 3 (1-2). pp. 135-167. ISSN 10225528 (ISSN). (doi:10.1007/bf02431183) (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:46837)
| 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://www.scopus.com/inward/record.url?eid=2-s2.0... |
Abstract
We review the application of computer simulation techniques to modelling the bulk and surface structures of complex materials. We show how recent developments have led to an increasingly predictive role for such calculations. We describe the use of simulations in modelling the adsorption of molecules on surfaces in problems of direct relevance to current catalytic studies. © J.C. Baltzer AG, Science Publishers.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1007/bf02431183 |
| Additional information: | Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Top. Catal. [Field not mapped to EPrints] AD - Royal Institution of Great Britain, 21 Albemarle Street, London W1X4BS, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints] |
| Uncontrolled keywords: | Computer simulation, Microporous materials, Oxides, Silicates, Surface structures |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
| Depositing User: | Dean Sayle |
| Date Deposited: | 21 Jan 2015 15:41 UTC |
| Last Modified: | 09 Mar 2023 11:33 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/46837 (The current URI for this page, for reference purposes) |
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