Computing the location and energetics of organic molecules in microporous adsorbents and catalysts: a hybrid approach applied to isometric butenes in a model zeolite-Reference-Cited by-同舟云学术

Computing the location and energetics of organic molecules in microporous adsorbents and catalysts: a hybrid approach applied to isometric butenes in a model zeolite

Published:1991-11 Issue:2-3 Volume:186 Page:137-142
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Freeman Clive M.,Catlow C.Richard A.,Thomas John M.,Brode Stefan

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference19 articles.

1. A Computer Simulation of the Adsorption and Diffusion of Benzene and Toluene in the Zeolites Theta-1 and Silicalite

2. Mobility of adsorbed species in zeolites: a molecular dynamics simulation of xenon in silicalite

3. Computer simulation of the adsorption and diffusion of benzene in silicalite, theta-1, and a new zeolite, EU-1

4. Simulation studies of the structure and energetics of sorbed molecules in high-silica zeolites. 1. Hydrocarbons

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