1987•Journal of the Chemical Society Chemical CommunicationsRequires access
Ab initio molecular orbital calculations on the acidic properties of boralite
Pádraig J. O’Malley, John Patrick Dwyer
Open publisher page 17 citations
Abstract
The ability to characterise the acidic and geometric properties of boron substituted zeolites using ab initio molecular orbital calculations is demonstrated; the acidity of the bridged hydroxy group in boralite is predicted to lie between that of terminal and bridged aluminium forms.