Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America

Desmond Macleod-Carey, Giovanni F. Caramori, Raúl Guajardo-Maturana, Dayan Paez-Hernandez, Alvaro Muñoz-Castro, Ramiro Arratia-Perez

Resultado de la investigación: Review article

1 Citas (Scopus)

Resumen

The inclusion of relativistic effects to understand chemical structures and related properties brings to the scientific community challenging study cases, showing the rich diversity of chemical behavior of the different elements along the periodic table. The results highlighted here represent applications of relativistic methodologies to study the nature of bonding and a prediction of optical and magnetic properties of meaningful chemical entities containing heavy atoms, all made in Latin America. The good agreement between calculated and experimental observables in many molecular and cluster-like systems ratifies that relativistic methods are appropriate to describe these entities realistically. We expect to enhance our knowledge in these methodologies, currently included in doctoral programs in our region.

Idioma originalEnglish
Número de artículoe25777
PublicaciónInternational Journal of Quantum Chemistry
Volumen119
N.º2
DOI
EstadoPublished - 15 ene 2019

Huella dactilar

Magnetic properties
Optical properties
methodology
Atoms
relativistic effects
inclusions
magnetic properties
optical properties
predictions
atoms

Keywords

    ASJC Scopus subject areas

    • Atomic and Molecular Physics, and Optics
    • Condensed Matter Physics
    • Physical and Theoretical Chemistry

    Citar esto

    Macleod-Carey, Desmond ; Caramori, Giovanni F. ; Guajardo-Maturana, Raúl ; Paez-Hernandez, Dayan ; Muñoz-Castro, Alvaro ; Arratia-Perez, Ramiro. / Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America. En: International Journal of Quantum Chemistry. 2019 ; Vol. 119, N.º 2.
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    author = "Desmond Macleod-Carey and Caramori, {Giovanni F.} and Ra{\'u}l Guajardo-Maturana and Dayan Paez-Hernandez and Alvaro Mu{\~n}oz-Castro and Ramiro Arratia-Perez",
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    Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America. / Macleod-Carey, Desmond; Caramori, Giovanni F.; Guajardo-Maturana, Raúl; Paez-Hernandez, Dayan; Muñoz-Castro, Alvaro; Arratia-Perez, Ramiro.

    En: International Journal of Quantum Chemistry, Vol. 119, N.º 2, e25777, 15.01.2019.

    Resultado de la investigación: Review article

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