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Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America
Author(s) -
MacleodCarey Desmond,
Caramori Giovanni F.,
GuajardoMaturana Raúl,
PaezHernandez Dayan,
MuñozCastro Alvaro,
ArratiaPerez Ramiro
Publication year - 2019
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25777
Subject(s) - relativistic quantum chemistry , latin americans , cluster (spacecraft) , coupled cluster , observable , diversity (politics) , chemical bond , periodic table , physics , theoretical physics , computer science , political science , molecule , atomic physics , quantum mechanics , law , programming language
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.