Concepedia

Optical and nonlinear optical properties of Ln(Tp)<sub>2</sub>, where Ln = La,…,Lu and Tp = tris(pyrazolyl)borate: a DFT+TD-DFT study

Douniazed Hannachi, M.F. Haroun, Ahlem Khireddine, Henry Chermette

New Journal of Chemistry · 2019 · 19 citations · 94 references

DOI

Concepts

Abstract

DFT calculations of electronic, structural, thermodynamic properties, magnetic moment, static and dynamic polarizability and hyperpolarizability of Ln(Tp)<sub>2</sub> (Ln = rare earths, Tp = ring-unsubstituted tris(pyrazolyl)borate) complexes.

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