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Inclusion of non-orthogonality on the valence bond charge-transfer model for nonlinear optical properties of push—pull molecules
ArticleAbstract: In models based on valence bond theory for predicting nonlinear optical properties of push-pull molePalabras claves:Autores:Gorayeb M., José Luis Paz, Mujica V., Squitieri E.Fuentes:scopusStationary conditions of the electron density along the reaction path: Connection with conceptual DFT and information theory
ArticleAbstract: The Kohn-Sham density functional theory (DFT) formalism has been used to investigate the influence oPalabras claves:Autores:Franco H.J., Gonzalez C.A., Luis Rincon, Squitieri E.Fuentes:googlescopus