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scopus(7)
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:scopusForce field for in-plane vibrations of tetracyanoquinodimethane (TCNQ)
ArticleAbstract: The force field for the in-plane vibrations of TCNQ and TCNQ-d4, has been calculated by the iterativPalabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusElectric field gradient and force constant in nitriles
ArticleAbstract: The relationship between the principal component of the electric field gradient (eqN) and the stretcPalabras claves:Autores:Murgich J., Yosslen R. ArayFuentes:scopusValence shell charge topology, atomic graphs, and electric field gradients in one- to four-bonded nitrogen atoms
ArticleAbstract: The atomic graph containing the extremes of the Laplacian of the charge distribution -∇2ρ(r) of thePalabras claves:Autores:Casilimas J., 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