ISSN:
1572-9028
Keywords:
computer simulation
;
surface structures
;
oxides
;
silicates
;
microporous materials
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
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 rôle 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02431183
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