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

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 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

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.
@article{b0a81540e8e64d1095e166708df7dc37,
title = "Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America",
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.",
keywords = "Actinides, Heavy Elements, Lanthanide, Relativistic effects, Spin-Orbit",
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",
year = "2019",
month = "1",
day = "15",
doi = "10.1002/qua.25777",
language = "English",
volume = "119",
journal = "International Journal of Quantum Chemistry",
issn = "0020-7608",
publisher = "John Wiley and Sons Inc.",
number = "2",

}

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

TY - JOUR

T1 - Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America

AU - Macleod-Carey, Desmond

AU - Caramori, Giovanni F.

AU - Guajardo-Maturana, Raúl

AU - Paez-Hernandez, Dayan

AU - Muñoz-Castro, Alvaro

AU - Arratia-Perez, Ramiro

PY - 2019/1/15

Y1 - 2019/1/15

N2 - 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.

AB - 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.

KW - Actinides

KW - Heavy Elements

KW - Lanthanide

KW - Relativistic effects

KW - Spin-Orbit

UR - http://www.scopus.com/inward/record.url?scp=85055476540&partnerID=8YFLogxK

U2 - 10.1002/qua.25777

DO - 10.1002/qua.25777

M3 - Review article

AN - SCOPUS:85055476540

VL - 119

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 2

M1 - e25777

ER -