Parlak, CemalErgürhan, OrkunAlver, Özgür2023-01-122023-01-1220212667-419Xhttps://doi.org/10.20290/estubtdb.923753https://search.trdizin.gov.tr/yayin/detay/524991https://hdl.handle.net/11454/80523Nonlinear optical materials have highly interesting photo-physical behaviors, which have a wide variety of applications, from optoelectronics to medicine. Nonlinear optical properties together with infrared and nuclear magnetic resonance analyses on the interaction between hydroquinone and pristine or boron and silicon doped C60 fullerene systems have been investigated by density functional theory. Hydroquinone@C60 systems in the cis and especially trans form have nonlinear optical applications. The obtained results related to optical properties such as polarizability and first hyperpolarizability may have useful predictive values which can be of interest.en10.20290/estubtdb.923753info:eu-repo/semantics/openAccessArticle924753524991