Documentos de Murgich J. | REDI

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Filtros aplicados

Objetivos de Desarrollo Sostenible: "ODS 4: Educación de calidad"

Subtipo de publicación

Publisher

Journal of Molecular Structure: THEOCHEM(5)

The Journal of Chemical Physics(4)

International Journal of Quantum Chemistry(2)

Journal of Physical Chemistry(2)

Canadian Journal of Chemistry(1)

Área temáticas

Química orgánica(9)

Química física(7)

Química analítica(6)

Química inorgánica(5)

Técnicas, equipos y materiales(2)

Área de conocimiento

Ciencia de materiales(6)

Química teórica(6)

Química física(4)

Ingeniería química(2)

Química orgánica(2)

Objetivos de Desarrollo Sostenible

ODS 9: Industria, innovación e infraestructura(17)

ODS 17: Alianzas para lograr los objetivos(15)

ODS 12: Producción y consumo responsables(2)

Año de Publicación

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Palabras Claves

Charge distribution(1)

Electric field gradient(1)

14N NQR and the Molecular Charge Topology in Coordinated Ammonia

Abstract: 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, Topology

Murgich J., Rico E., Yosslen R. Aray

<sup>14</sup>N NQR and ab initio MO calculations of quinolines, naphthyridines, and benzodiazines

Abstract: The 14N NQR spectra of quinoline, 2-chloroquinoline, 1,5-naphthyridine and its hydrated form, 1,8-na

Palabras claves:

Marino R.A., Murgich J., Soscun H.J., Yosslen R. Aray

<sup>14</sup>N nuclear quadrupole resonance and ab initio MO study of organic azides

Abstract: An ab inito SCF-MO calculation of the electric field gradient (EFG) using a double zeta basis set wi

Palabras claves:

Murgich J., Yosslen R. Aray

Correlation between the—CN stretching force constant and the electric field gradient at the N nucleus in some nitriles

Palabras claves:

Murgich J., Yosslen R. Aray

Ab initia MO calculation in terms of localized orbitals of the <sup>14</sup>N electric field gradient in nitriles

Abstract: The contributions of each localized orbital of the CN group and of the molecular remainder to the N

Palabras claves:

Gomperts R., Murgich J., Saavedra J., Urdaneta C., Yosslen R. Aray

Ab initio study of the molecular electrostatic potential of monocyclic and bicyclic azines

Abstract: An ab initio SCP MO study of the molecular electrostatic potential was performed on a series of mono

Palabras claves:

Hinchliffe A., Murgich J., Soscun M H., Yosslen R. Aray

Ab-initio MO study of electronic substituent effects in nitriles

Abstract: Ab-initio MO calculations using a 4-31G basis were performed for R-CNs with R = H, Cl, CCH, CN, NO,

Palabras claves:

Gomperts R., Murgich J., Soscun H.J., Yosslen R. Aray

Force field for in-plane vibrations of tetracyanoquinodimethane (TCNQ)

Abstract: The force field for the in-plane vibrations of TCNQ and TCNQ-d4, has been calculated by the iterativ

Palabras claves:

Murgich J., Yosslen R. Aray

Electric field gradient and force constant in nitriles

Abstract: The relationship between the principal component of the electric field gradient (eqN) and the stretc

Palabras claves:

Murgich J., Yosslen R. Aray

Substituent Effects and the Charge Topology in Nitriles and Cyanides

Abstract: In order to study the substituem effects and the bonding of the C≡N group, a SCF 4–31G ab initio cal

Palabras claves:

Luna M.A., Murgich J., Yosslen R. Aray