The purposes of this study were to evaluate the shear bond strength and perform the computational analysis for silane coupling treatments on the adhesion between CAD/CAM composite resin and resin cement. As silane coupling agents, gamma-methacryloyloxy propyltrimethoxysilane, 8-methacryloyloxyoctyl trimethoxysilane, and 3-methacryloyloxypropyl trichlorosilane were used. The shear bond strengths were influenced by the silane coupling agent used, its application method, and acid addition. There was no correlation between the contact angle and shear bond strengths. The steric energy difference between a silane coupling agent and its corresponding hydrolyzed trisilanol compound, ∆E, was calculated by the molecular mechanics method. There was a moderate or strong linear correlation between ∆E and shear bond strengths in treatment without acid addition and a weak correlation between them in treatment with acid addition. Computational analysis could suggest the different path of silane coupling treatments of CAD/CAM composite resin in the presence or absence of acid.
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