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International Journal of Quantum Chemistry(2)
Journal of Chemical Crystallography(2)
ACS National Meeting Book of Abstracts(1)
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Química inorgánica(9)
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A topological study of the haxacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dications
ArticleAbstract: The nature of the hexacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dPalabras claves:Atoms in molecule, Carbon hypercoordination, Electron localization function, Topological analysisAutores:Almeida R., César H. Zambrano, Fernando Javier Torres, José Luis Burgos, Jose R. Mora, Luis E. Seijas, Luis Rincon, Paúl Pozo-GuerrónFuentes:googlescopusCrystal structure of 2, 8, 14, 20-tert-butylpyrogallol[4]arene
ArticleAbstract: The aromatic derivative 2, 8, 14, 20-tert-butylpyrogallol[4]arene was synthesized by the acid catalyPalabras claves:Crown conformation, Crystal structure, tert-butyl, Pyrogallol[4]areneAutores:César H. Zambrano, Dueno E.E., Hunter A.D., Ray T.A., Salvatore R.N., Zeller M.Fuentes:scopusCrystal structure of 2,8,14,20-tetranaphthylpyrogallol[4]arene
ArticleAbstract: The aromatic derivative 2,8,14,20-tetranaphthylpyrogallol[4]arene was synthesized by the acid catalyPalabras claves:Chair conformation, Crystal structure, Naphthyl, Pyrogallol[4]areneAutores:César H. Zambrano, Dueno E.E., Kass J.P., Ke Y., Zhou H.C.Fuentes:scopusDehydrochlorination of PCDDs on SWCN-Supported Ni<inf>10</inf> and Ni<inf>13</inf> Clusters, a DFT Study
ArticleAbstract: Polychlorinated dibenzo-p-dioxins (PCDDs) are known to be a group of compounds of high toxicity forPalabras claves:clusters, dehydrochlorination, DFT, dibenzo-p-dioxins, nanotubes, nickelAutores:Arianna Jimbo, César H. Zambrano, Martha Porras, Silvia González PérezFuentes:scopusImproved synthesis and purification of cavitands
ArticleAbstract:Palabras claves:Autores:César H. Zambrano, Dueno E.E., Kass J.P., Slasor L.Fuentes:scopusStability of “no-pair ferromagnetic” lithium clusters
ArticleAbstract: High-spin lithium clusters, n+1Lin (n = 2−21), have been systematically studied by using density funPalabras claves:Autores:Almeida R., César H. Zambrano, Fernando Javier Torres, José Luis Burgos, Liu S., Luis Rincon, Marcos BecerraFuentes:scopusStructural and Electronic Properties of PZT
Conference ObjectAbstract: The structural and electronic properties of Zr-doped PbTiO3 crystals are investigated. A quantum-chePalabras claves:Lead titanate, LUC, Structural and electronic properties, Zr dopingAutores:César H. Zambrano, Luis Miguel Prócel Moya, Sánchez A., Stashans A.Fuentes:scopusStructural and electronic properties of PbZr<inf>x</inf>Ti<inf>1-x</inf>O<inf>3</inf> (x = 0.5, 0.375): A quantum chemical study
ArticleAbstract: The structural and electronic properties of the PZT materials PbZr0.5Ti0.5O3 and PbZr0.375Ti0.625O3Palabras claves:impurity doping, LUC, PbTiO 3, PbZrTiO 3, Structural and electronic propertiesAutores:César H. Zambrano, Luis Miguel Prócel Moya, Sánchez A., Stashans A.Fuentes:scopusStructural properties of PbTiO<inf>3</inf> and PbZr<inf>x</inf>Ti<inf>1-x</inf>O<inf>3</inf>: A quantum-chemical study
ArticleAbstract: We investigate the structural and electronic properties of pure and Zr-doped PbTiO3 crystals. The naPalabras claves:Impurity-doping, LUC, PbTiO 3, PbZrTiO 3, Structural and electronic propertiesAutores:César H. Zambrano, Luis Miguel Prócel Moya, Sánchez A., Stashans A.Fuentes:scopusSynthesis and Reactivity of Zirconium Hydrazido Complexes Containing Aryloxide Ligation
ArticleAbstract: The reaction of [(ArO)2Zr(Me)2] (ArO = 2,6-di-tert-butylphenoxide)with PhNHNHPh (1 equiv) leads to [Palabras claves:Autores:César H. Zambrano, Fanwick P.E., Rothwell I.P.Fuentes:scopus