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

Chemical Physics Letters

Volumn 186, Issue 2-3, 1991, Pages 137-142

  Freeman, Clive M ^a   Catlow, C Richard A ^a   Thomas, John M ^a   Brode, Stefan ^b  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b BASF SE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 25444455947     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(91)85119-H     Document Type: Article

References (19)

1. A Computer Simulation of the Adsorption and Diffusion of Benzene and Toluene in the Zeolites Theta-1 and Silicalite
2. Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts
3. The Bakerian Lecture, 1990: New Microcrystalline Catalysts
4. Double Bond and Skeletal Isomerization of 1-Butene over Lanthanum-Modified Silicated Alumina.
5. Monte carlo simulation of the solvent structure in crystals of a hydrated cyclic peptide
6. Computer Simulation Studies of Zeolite Structure