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Density Functional Theory Model of Adsorption on Amorphous and Microporous Silica Materials

โœ Scribed by Ravikovitch, Peter I.; Neimark, Alexander V.


Book ID
111874082
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
187 KB
Volume
22
Category
Article
ISSN
0743-7463

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The formalism of (nonlocal) density functional theory provides an attractive way to describe the physical adsorption process at the fluid-solid interface. It provides numerical results of analytic precision in a small fraction of the time required by a simulation technique. In particular, the abilit