Model analysis of zeolite-like phosphates and their adsorption complexes with water molecules
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Molecular models of borophosphates, aluminophosphates, and silicon-containing derivatives of these phosphates have been subjected to quantum-chemical analysis in the MNDO approximation. Bonding energies of these compounds with water molecules have been calculated. Incorporation of silicon atoms into the phosphate matrix increases its hydrophilicity and acidity.
KeywordsPhosphate Silicon Water Molecule Acidity Molecular Model
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