Effect of Silver Atom on Bis-GMA Structure: A Computational Chemistry Study

: IIn this study, the silver atom has been added to the structure of the Bis-GMA molecule as a monomer used in dental materials, and the effect of this atom on the Bis-GMA electronic properties has been investigated using quantum chemistry calculations through the Fukui function and atoms in molecules (AIM) methods. The results of Fukui functions showed that the presence of silver atoms in the Bis-GMA molecule creates the more reactive sites in reactions, which is related to the position of silver atoms bound to it, and the results of AIM suggest stronger interactions between the Bis-GMA molecules in the presence of silver atoms. Therefore, adding an atom of silver, in addition to generating antibacterial properties in this material, makes the molecule more active and creates stronger interactions at the environment of these molecules.