Molecular modeling of zeolite structure. 1. Properties of the sodalite cage

• 1 December 1987
• journal article
• Published by American Chemical Society (ACS) in Journal of the American Chemical Society
• Vol. 109  (26) , 7960-7968
• https://doi.org/10.1021/ja00260a005

Abstract

Keywords

• CRYSTAL STRUCTURE
• ION EXCHANGE
• EXCITED STATES
• BINDING ENERGY
• MOLECULAR STRUCTURE
• MOLECULAR MECHANICS
• UNIFORM DISTRIBUTION
• MATHEMATICAL MODEL
• ENERGY LEVELS
• ENERGY MINIMIZATION
• MOLECULAR MODELING
• STRUCTURAL STABILITY
• FORCE FIELD