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: Contribución a una revistaArtículo de revisión

2 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 originalInglés
Número de artículoe25777
PublicaciónInternational Journal of Quantum Chemistry
Volumen119
N.º2
DOI
EstadoPublicada - 15 ene 2019

Áreas temáticas de ASJC Scopus

  • Óptica y física atómica y molecular
  • Física de la materia condensada
  • Química física y teórica

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