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14 N NQR in 1, 10-Phenanthroline and Dicyano bis(l, 10-phenanthroline)iron(III)
ArticleAbstract: 14N NQR spectra of 1, 10-phenanthroline and of dicyano bis(l, 10phenanthroline)iron(III) were obtainPalabras claves:14N NQR, Charge distribution, complex, Phenanthroline, TopologyAutores:Bonalde I., Murgich J., Rico E., Yosslen R. ArayFuentes:scopus14N NQR and the Molecular Charge Topology in Coordinated Ammonia
ArticleAbstract: 14N NQR spectra of [Co(NH3)6] • 3C1, [Co(NH3)5CO3] • NO3, [Zn(NH3)4] • 2C1, [Zn(NH3)4] (BF4)2, and [Palabras claves:14N NQR, Ammonia, Charge distribution, complex, TopologyAutores:Murgich J., Rico E., Yosslen R. ArayFuentes:scopus14N NQR and ab initio MO calculations of quinolines, naphthyridines, and benzodiazines
ArticleAbstract: The <sup>14</sup>N NQR spectra of quinoline, 2-chloroquinoline, 1,5-naphthyridine and its hydrated fPalabras claves:Autores:Marino R.A., Murgich J., Soscun H.J., Yosslen R. ArayFuentes:scopus14N nuclear quadrupole resonance and ab initio MO study of organic azides
ArticleAbstract: An ab inito SCF-MO calculation of the electric field gradient (EFG) using a double zeta basis set wiPalabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusA Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers
Conference ObjectAbstract: Although very few measurements have appeared in the open literature and there seems to be a controvePalabras claves:Charge rearrangement, DFT, molecular electronics, Negative differential resistanceAutores:Gonzalez C.A., Marquez M., Mujica V., Simon-Manso Y., Yosslen R. ArayFuentes:scopusA numerical method for the topological analysis of the Laplacian of the electronic charge density in molecules and solids
ArticleAbstract: A numerical method that analyzes the topology of the Laplacian of the electronic density regardlessPalabras claves:Autores:López‐boada R., Rodríguez J.A., Yosslen R. ArayFuentes:scopusThe topology of the charge distribution and the electric-field gradient at the N nucleus in imines and di-imides
ArticleAbstract: A relationship between critical points that define the topology of the Laplacian of a molecular charPalabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusThe topology of the molecular charge distribution and the electric field gradient at the N atom in nitriles
ArticleAbstract: A direct relationship between the N valence shell charge topology reflected in its Laplacian and thePalabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusThe topology of the valence shall and the electric field gradient at the nitrogen nucleus in aziridines
ArticleAbstract: The ab initio molecular charge density ρ(r) of substituted aziridines was calculated at the MP2 levePalabras claves:Aziridines, Electric field gradient, Laplacian of the charge density, Molecular charge distributionAutores:Felix Rosillo, Murgich J., Rodríguez J.A., Rosillo F., Yosslen R. ArayFuentes:scopusTheoretical study of the CO adsorption on the (100) surface of the face-centered cubic d-block transition metals
ArticleAbstract: The interaction of a CO molecule with the (100) surface of the fcc d-block transition metals is analPalabras claves:Autores:Rivero J., Rodríguez J.A., Vega D., Yosslen R. ArayFuentes:scopus