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Ab-Initio Calculation of the Charge Topology of the Oxygen Active Site of the (001) Surface of Pure and Doped MgO
ArticleAbstract: An ab-initio calculation of the charge density g(r) of the O site in the (001) surface of pure MgO aPalabras claves:Autores:Murgich J., Rosillo F., Yosslen R. ArayFuentes:scopusSubstituent Effects and the Charge Topology in Nitriles and Cyanides
ArticleAbstract: In order to study the substituem effects and the bonding of the C≡N group, a SCF 4–31G ab initio calPalabras claves:Autores:Luna M.A., Murgich J., Yosslen R. ArayFuentes:scopus