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An analysis of two local measures of the electronic localization: A comparison with the ELF and the exchange-correlation density results
ArticleAbstract: In this work we have explored the performance of two functions, recently proposed by Ayers [J. Chem.Palabras claves:Autores:Almeida R., Alvarellos J.E., Luis RinconFuentes:googlescopusElectron density, exchange-correlation density, and bond characterization from the perspective of the valence-bond theory. I. Two simple analytical cases
ArticleAbstract: In this work, using a valence-bond wave function we obtain analytical expressions for the first- andPalabras claves:Autores:Almeida R., Alvarellos J.E., Luis RinconFuentes:googlescopusThe σ delocalization in planar boron clusters
ArticleAbstract: The σ delocalization plays an important role in the stability of small boron clusters; therefore, itPalabras claves:Autores:Almeida R., Alvarellos J.E., García-Aldea D., Gonzalez C.A., Hasmy A., Luis RinconFuentes:googlescopus