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Crystal 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: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:scopusAryl imido complexes of the group 4 metals: Structural aspects and mechanistic study of formation
ArticleAbstract: The addition of aniline (PhNH2 ≥ 2 equivalents) to the organometallic compounds [Ti(OC6H3Pri2-2,6)2(Palabras claves:Autores:César H. Zambrano, Fanwick P.E., Hill J.E., Profilet R.D., Rothwell I.P.Fuentes:scopusAcylation of Pyridine Rings Mediated by Group 4 Metal Aryl Oxide Compounds: High Yield Formation of α,α'-Disubstituted-2,6-pyridinedimethoxide Ligands
ArticleAbstract: The room-temperature carbonylation (typically 1000 psi) of solutions of the dialkyl compounds Zr(OArPalabras claves:Autores:César H. Zambrano, Fanwick P.E., Kobriger L.M., McMullen A.K., Rothwell I.P.Fuentes:scopusOn the thermodynamic stability of the intermolecular association between Lewis acids and Lewis bases: a DFT study
ArticleAbstract: The intermolecular association of twelve combinations of six different Lewis acids and Lewis bases (Palabras claves:Classical Lewis adducts, Electronic effects, Frustrated Lewis pairs, Steric effectsAutores:Almeida R., Carlos Espinosa-Gavilanes, César H. Zambrano, Fernando Javier Torres, Luis Rincon, Marcos Becerra, Misael Real-EnriquezFuentes:scopusInsights on the aromaticity of imidazolylidene carbenes by means of DFT calculations
ArticleAbstract: The effect of sixteen substituents on the structure of imidazolylidene carbenes was studied using fiPalabras claves:Aromatic fluctuation index, Aromatic stabilization energy, Harmonic oscillator model of aromaticity, Imidazolylidene carbenes, Nuclear independent chemical shift, Singlet-triplet energy gapAutores:Andrés S. Urbina, César H. Zambrano, Fernando Javier Torres, Luis RinconFuentes: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 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: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:scopusSynthesis and Structure of Five-Coordinate Aryl-Imido Derivatives of Zirconium(IV)
ArticleAbstract:Palabras claves:Autores:César H. Zambrano, Fanwick P.E., Nash J.J., Profilet R.D., Rothwell I.P.Fuentes:scopus