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scopus(11)
Correlation between the—CN stretching force constant and the electric field gradient at the N nucleus in some nitriles
ArticleAbstract:Palabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusAb initia MO calculation in terms of localized orbitals of the <sup>14</sup>N electric field gradient in nitriles
ArticleAbstract: The contributions of each localized orbital of the CN group and of the molecular remainder to the NPalabras claves:Autores:Gomperts R., Murgich J., Saavedra J., Urdaneta C., Yosslen R. ArayFuentes:scopusAb initio study of the molecular electrostatic potential of monocyclic and bicyclic azines
ArticleAbstract: An ab initio SCP MO study of the molecular electrostatic potential was performed on a series of monoPalabras claves:Autores:Hinchliffe A., Murgich J., Soscun M H., Yosslen R. ArayFuentes:scopusMolecular recognition and molecular mechanics of micelles of some model asphaltenes and resins
ArticleAbstract: Molecular mechanical calculations of resins and a highly aromatic model asphaltene extracted from thPalabras claves:Autores:Jesús Rodríguez M., Murgich J., Yosslen R. ArayFuentes:scopusNucleophilic attack on the cyano group: a description in terms of the laplacian of the molecular charge density
ArticleAbstract: Nucleophilic attack towards the C atom of the CN group in CH3CN, NH2CN and FCN is analyzed on the baPalabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusMO ab initio MCSCF calculation of the charge topology in the H abstraction from CH<inf>4</inf> by MgO and LiO molecules
ArticleAbstract: MCSCF-CAS and SCF ab initio calculations were carried out for the abstraction of H from CH4 by MgO aPalabras claves:Autores:Murgich J., Rodríguez J.A., Ruette 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:scopusThe electric field gradient at the N nuclei and the topology of the charge distribution in the protonation of urea
ArticleAbstract: A relationship between some of the critical points of the Laplacian of the charge density of the N vPalabras claves:Autores:Gatti C., Murgich J., 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:scopus