tailieunhanh - COMPUTER MODELLING OF MICROPOROUS MATERIALS

Modelling methods are now well established in physical, biomedical and engineering sciences; and are widely used in assisting the interpretation of experimental data and increasingly in a predictive mode. Applications to inorganic materials are widespread, and indeed, such methods now play a major role in modelling structures, properties and reactivities of these materials. | ELSEVIER ACADEMIC fWEVS Computer Modelling of Microporous Materials Edited H . CATLOW . VAN SANTEN B. .