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Journal of Molecular Structure: THEOCHEM(5)
The Journal of Chemical Physics(4)
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International Journal of Quantum Chemistry(2)
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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:scopus<sup>14</sup>N NQR and ab initio MO calculations of quinolines, naphthyridines, and benzodiazines
ArticleAbstract: The 14N NQR spectra of quinoline, 2-chloroquinoline, 1,5-naphthyridine and its hydrated form, 1,8-naPalabras claves:Autores:Marino R.A., Murgich J., Soscun H.J., Yosslen R. ArayFuentes:scopus<sup>14</sup>N 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:scopusCorrelation 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:scopusAb-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:scopusAb-initio MO study of electronic substituent effects in nitriles
ArticleAbstract: Ab-initio MO calculations using a 4-31G basis were performed for R-CNs with R = H, Cl, CCH, CN, NO,Palabras claves:Autores:Gomperts R., Murgich J., Soscun H.J., 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:scopus