title: Simultaneous occupation of SI and SI' cation sites in dehydrated zeolite LSX.
abstract: Simultaneous occupation of adjacent SI (or SIa) and SI' sites is calculated to be favourable in dehydrated zeolite K-LSX (supporting the experimental work of Paillaud et al.), although such a configuration is unlikely in other dehydrated LSX zeolites.
authors.affiliation: Centre for Theoretical and Computational Chemistry, Department of Chemistry, University College London, 20 Gordon St, London, UK WC1H 0AJ.
authors.forename: Tanya
authors.initials: T
authors.lastname: Gibbs
authors.forename: Dewi W
authors.initials: DW
authors.lastname: Lewis