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scopus(5)
DFT Study on the Structures and Stability of Be<inf>n</inf>Sn<inf>n</inf> (n=1 – 5) and Be<inf>2n</inf>Sn<inf>n</inf> (n=1 – 4) Clusters.
ArticleAbstract: The equilibrium geometries and stabilities of bimetallic BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) clusPalabras claves:Beryllium, clusters, Density functional calculations, Stannides, TinAutores:Bacelo D.E., Fioressi S.E., Pablo R. DuchowiczFuentes:scopusDifferent encoding alternatives for the pbkp_rediction of halogenated polymers glass transition temperature by quantitative structure–property relationships
ArticleAbstract: The glass transition temperature, Tg, is one of the most important properties of amorphous polymers.Palabras claves:Computational techniques, computer modeling and simulation, Glass transitions, halogenated polymers, QSPRAutores:Bacelo D.E., Mercader A.G., Pablo R. DuchowiczFuentes:scopusEstudio qspr en indices de refraccion de polimeros mediante descriptores flexibles
OtherAbstract:Palabras claves:Autores:Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusQSPR studies on refractive indices of structurally heterogeneous polymers
ArticleAbstract: We developed a pbkp_redictive Quantitative Structure-Property Relationship (QSPR) for the refractivePalabras claves:CORAL software, Graph Theory, Monte Carlo method, polymer, QSPR Theory, Refractive indexAutores:Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusQSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors
ArticleAbstract: A pbkp_redictive Quantitative Structure–Property Relationship (QSPR) for the refractive indices of 3Palabras claves:CORAL method, Graph Theory, polymer, QSPR Theory, Refractive indexAutores:Bacelo D.E., Cui W.P., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M.Fuentes:scopus