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

Research output: Contribution to journalReview article

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article numbere25777
JournalInternational Journal of Quantum Chemistry
Volume119
Issue number2
DOIs
Publication statusPublished - 15 Jan 2019

Fingerprint

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

Keywords

  • Actinides
  • Heavy Elements
  • Lanthanide
  • Relativistic effects
  • Spin-Orbit

ASJC Scopus subject areas

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

Cite this

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. In: International Journal of Quantum Chemistry. 2019 ; Vol. 119, No. 2.
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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.

In: International Journal of Quantum Chemistry, Vol. 119, No. 2, e25777, 15.01.2019.

Research output: Contribution to journalReview article

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AU - Guajardo-Maturana, Raúl

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AU - Muñoz-Castro, Alvaro

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