Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites
- 1 August 2000
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 21 (11) , 909-922
- https://doi.org/10.1002/1096-987x(200008)21:11<909::aid-jcc1>3.0.co;2-6
Abstract
No abstract availableKeywords
This publication has 40 references indexed in Scilit:
- Complexes of ammonia with propane and cyclopropane: electrostatic guidelines for ab initio treatmentTheoretical Chemistry Accounts, 1998
- Non-empirical quantum chemical calculation of Henry and separation constants and heats of adsorption for diatomic gases in faujasiteChemical Communications, 1997
- Modeling of N2 and O2 Adsorption in ZeolitesThe Journal of Physical Chemistry, 1995
- Reactivity Theory of Zeolitic Broensted Acidic SitesChemical Reviews, 1995
- Modeling of adsorption properties of zeolitesPublished by Elsevier ,1995
- Theoretical Study of van der Waals Complexes at Surface Sites in Comparison with the ExperimentChemical Reviews, 1994
- Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalystsChemical Reviews, 1989
- Bridging and terminal hydroxyls. A structural chemical and quantum chemical discussionThe Journal of Physical Chemistry, 1984
- Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenidesActa Crystallographica Section A, 1976
- Studies of the Hydrogen Held by Solids. VIII. The Decationated ZeolitesThe Journal of Physical Chemistry, 1965