Ab Initio Periodic Hartree-Fock Investigation of a Zeolite Acid Site

• 1 June 1994
• journal article
• Published by American Chemical Society (ACS) in Journal of the American Chemical Society
• Vol. 116  (12) , 5428-5436
• https://doi.org/10.1021/ja00091a055

Abstract

Keywords

• HARTREE FOCK
• MATERIALS SCIENCE
• ION EXCHANGE
• MATHEMATICAL MODEL
• ANALYTICAL CHEMISTRY